 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer11_STD_wB97XD_augccpVDZ.in
 Output=30_ibuprofen_conformer11_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-39360.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39362.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer11_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer11_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.999465000000     -1.196404000000      0.969136000000
  C                                                 1.596854000000     -0.854615000000     -0.242805000000
  C                                                -0.373383000000     -1.089601000000      1.148990000000
  C                                                -1.197567000000     -0.646006000000      0.118540000000
  C                                                -0.607540000000     -0.309456000000     -1.099214000000
  C                                                 0.764497000000     -0.415297000000     -1.273478000000
  C                                                 3.089352000000     -0.933039000000     -0.426740000000
  C                                                 3.863458000000      0.355956000000     -0.060011000000
  C                                                 3.724742000000      0.714773000000      1.418841000000
  C                                                 3.474654000000      1.538350000000     -0.946480000000
  C                                                -2.698290000000     -0.547550000000      0.336035000000
  C                                                -3.112492000000      0.912406000000      0.380989000000
  O                                                -3.301927000000      1.545130000000      1.386242000000
  O                                                -3.236904000000      1.461286000000     -0.851756000000
  H                                                 1.615792000000     -1.553364000000      1.784982000000
  H                                                -0.810943000000     -1.358118000000      2.102796000000
  H                                                -1.221792000000      0.044896000000     -1.915977000000
  H                                                 1.198598000000     -0.153574000000     -2.230639000000
  H                                                 3.310060000000     -1.178961000000     -1.468652000000
  H                                                 3.483227000000     -1.751920000000      0.180680000000
  H                                                 4.918355000000      0.129746000000     -0.250425000000
  H                                                 2.693477000000      0.972860000000      1.666766000000
  H                                                 4.350853000000      1.574253000000      1.666193000000
  H                                                 4.026509000000     -0.115358000000      2.061505000000
  H                                                 3.596304000000      1.300958000000     -2.005766000000
  H                                                 4.098076000000      2.406584000000     -0.724159000000
  H                                                 2.434212000000      1.826365000000     -0.784696000000
  H                                                -2.911214000000     -0.920205000000      1.337383000000
  C                                                -3.505151000000     -1.357997000000     -0.684885000000
  H                                                -3.465219000000      2.394674000000     -0.720115000000
  H                                                -3.324283000000     -1.011646000000     -1.700587000000
  H                                                -4.575148000000     -1.279853000000     -0.485627000000
  H                                                -3.217816000000     -2.407791000000     -0.623061000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.393734   0.000000
     3  C    1.388692   2.423664   0.000000
     4  C    2.419380   2.825398   1.392079   0.000000
     5  C    2.765360   2.426930   2.391208   1.394390   0.000000
     6  C    2.386348   1.395745   2.760038   2.416741   1.387103
     7  C    2.526946   1.505833   3.807620   4.330981   3.808948
     8  C    3.416346   2.576119   4.637040   5.162343   4.638161
     9  C    3.358864   3.122812   4.485891   5.269879   5.114520
    10  C    4.156323   3.122110   5.109257   5.266434   4.483528
    11  C    3.807259   4.344837   2.521886   1.519594   2.547129
    12  C    4.658453   5.068473   3.478588   2.482834   3.155746
    13  O    5.117808   5.693033   3.946450   3.291880   4.108126
    14  O    5.322197   5.394389   4.325478   3.088859   3.179673
    15  H    1.082998   2.144884   2.139247   3.393423   3.848259
    16  H    2.142175   3.398948   1.083193   2.143328   3.375490
    17  H    3.846906   3.399028   3.376522   2.148765   1.081653
    18  H    3.371307   2.145122   3.843067   3.391569   2.136950
    19  H    3.358863   2.131426   4.519711   4.808526   4.029902
    20  H    2.664458   2.131408   4.031096   4.810066   4.522522
    21  H    4.313201   3.464303   5.607821   6.175956   5.607928
    22  H    2.839379   2.861592   3.731952   4.489761   4.493517
    23  H    4.403888   4.138621   5.448121   6.173309   5.981764
    24  H    3.394838   3.429223   4.597922   5.598899   5.612685
    25  H    4.672305   3.428167   5.605861   5.593259   4.592121
    26  H    5.044815   4.138023   5.977118   6.170274   5.446133
    27  H    3.777772   2.860501   4.486044   4.485340   3.730001
    28  H    3.937677   4.777444   2.550446   2.120695   3.408362
    29  C    4.801402   5.145802   3.639108   2.545067   3.109221
    30  H    5.973509   6.034094   5.019280   3.884755   3.952514
    31  H    5.084914   5.134917   4.102923   2.822381   2.869741
    32  H    5.761910   6.191397   4.512538   3.489245   4.130384
    33  H    4.667763   5.073263   3.601193   2.781234   3.382791
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.527840   0.000000
     8  C    3.416269   1.547656   0.000000
     9  C    4.157967   2.554442   1.528069   0.000000
    10  C    3.356876   2.554672   1.528088   2.517055   0.000000
    11  C    3.820853   5.850404   6.635489   6.634853   6.640863
    12  C    4.419400   6.520810   7.011989   6.918379   6.748664
    13  O    5.239579   7.090605   7.405979   7.075637   7.166846
    14  O    4.439665   6.777532   7.229368   7.360530   6.712669
    15  H    3.372548   2.729083   3.478722   3.118682   4.524925
    16  H    3.843195   4.668142   5.428242   5.033598   6.004494
    17  H    2.137739   4.664777   5.422281   6.003161   5.022642
    18  H    1.083097   2.727007   3.474583   4.522625   3.113214
    19  H    2.664801   1.093055   2.155572   3.477902   2.771919
    20  H    3.360451   1.093006   2.155377   2.770550   3.477994
    21  H    4.312568   2.122699   1.095553   2.133874   2.133760
    22  H    3.780606   2.858660   2.175129   1.091597   2.785511
    23  H    5.045981   3.501181   2.168313   1.091743   2.755916
    24  H    4.674698   2.781767   2.179347   1.092336   3.476675
    25  H    3.391299   2.782277   2.179533   3.476786   1.092355
    26  H    4.401990   3.501295   2.168228   2.755731   1.091747
    27  H    2.837588   2.858610   2.174860   2.785082   1.091626
    28  H    4.536781   6.254525   7.034023   6.834888   7.213864
    29  C    4.411918   6.613221   7.591080   7.809827   7.561411
    30  H    5.108096   7.356775   7.635549   7.687180   6.996168
    31  H    4.154055   6.539387   7.498363   7.899374   7.300459
    32  H    5.466258   7.672569   8.606224   8.746068   8.541309
    33  H    4.500210   6.480263   7.622320   7.881553   7.775975
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.518241   0.000000
    13  O    2.417979   1.202813   0.000000
    14  O    2.395073   1.355141   2.240512   0.000000
    15  H    4.660731   5.514335   5.826115   6.291992   0.000000
    16  H    2.709344   3.662926   3.891953   4.750127   2.455233
    17  H    2.757281   3.098931   4.181186   2.683170   4.929849
    18  H    4.682816   5.151933   6.018484   4.917598   4.273017
    19  H    6.305224   7.003154   7.699965   7.086198   3.687391
    20  H    6.299666   7.116338   7.639518   7.520025   2.469924
    21  H    7.669156   8.093562   8.500296   8.285098   4.228790
    22  H    5.757920   5.946945   6.029184   6.461496   2.749034
    23  H    7.480761   7.602060   7.657954   7.995429   4.156520
    24  H    6.956073   7.405793   7.544480   7.983111   2.820617
    25  H    6.965840   7.131305   7.690964   6.931823   5.141921
    26  H    7.486088   7.446221   7.743122   7.396743   5.304593
    27  H    5.764901   5.741086   6.139654   5.683251   4.323844
    28  H    1.089452   2.076937   2.496582   3.251139   4.592931
    29  C    1.533012   2.538700   3.571976   2.836928   5.688802
    30  H    3.218744   1.879884   2.277088   0.969882   6.905012
    31  H    2.180615   2.842497   4.008256   2.616016   6.070172
    32  H    2.175774   2.774236   3.620154   3.072261   6.599865
    33  H    2.156448   3.470291   4.435083   3.875877   5.467402
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276422   0.000000
    18  H    4.926240   2.448814   0.000000
    19  H    5.456189   4.715465   2.467856   0.000000
    20  H    4.721176   5.455431   3.686285   1.754584   0.000000
    21  H    6.369949   6.362599   4.223519   2.404871   2.405434
    22  H    4.231376   5.387624   4.323573   3.852448   3.202590
    23  H    5.952609   6.798915   5.301641   4.300080   3.744723
    24  H    4.994707   6.587162   5.140140   3.755870   2.551665
    25  H    6.585954   4.979940   2.813401   2.553512   3.756780
    26  H    6.801700   5.941296   4.151008   3.745847   4.299992
    27  H    5.386054   4.221350   2.745478   3.204199   3.851819
    28  H    2.277886   3.790767   5.496277   6.829717   6.551228
    29  C    3.876844   2.949140   5.095610   6.862466   7.052787
    30  H    5.394206   3.461865   5.525074   7.696465   8.141657
    31  H    4.571941   2.362867   4.633972   6.640504   7.101363
    32  H    4.568949   3.878899   6.135936   7.946888   8.099643
    33  H    3.784858   3.416346   5.212534   6.696134   6.780866
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.055576   0.000000
    23  H    2.466188   1.763113   0.000000
    24  H    2.490077   1.765506   1.765292   0.000000
    25  H    2.490136   3.796082   3.758632   4.328247   0.000000
    26  H    2.466024   3.121696   2.543709   3.758356   1.765418
    27  H    3.055311   2.608708   3.121527   3.795597   1.765651
    28  H    8.057647   5.924926   7.685574   7.021690   7.645783
    29  C    8.564904   7.027528   8.708757   8.112503   7.697105
    30  H    8.696828   6.756352   8.213315   8.376375   7.260456
    31  H    8.446705   7.175707   8.770963   8.306071   7.303136
    32  H    9.600463   7.908250   9.615079   9.046128   8.703105
    33  H    8.530840   7.184392   8.853367   8.058684   7.880287
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.763168   0.000000
    28  H    8.027928   6.373417   0.000000
    29  C    8.484260   6.739893   2.152671   0.000000
    30  H    7.563305   5.927093   3.940640   3.753049   0.000000
    31  H    8.229770   6.484861   3.067287   1.088266   3.547422
    32  H    9.427170   7.672624   2.494271   1.091194   3.845657
    33  H    8.758465   7.063967   2.479971   1.090161   4.809813
                   31         32         33
    31  H    0.000000
    32  H    1.764292   0.000000
    33  H    1.766810   1.770165   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.67D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.999465   -1.196404    0.969136
      2          6           0        1.596854   -0.854615   -0.242805
      3          6           0       -0.373383   -1.089601    1.148990
      4          6           0       -1.197567   -0.646006    0.118540
      5          6           0       -0.607540   -0.309456   -1.099214
      6          6           0        0.764497   -0.415297   -1.273478
      7          6           0        3.089352   -0.933039   -0.426740
      8          6           0        3.863458    0.355956   -0.060011
      9          6           0        3.724742    0.714773    1.418841
     10          6           0        3.474654    1.538350   -0.946480
     11          6           0       -2.698290   -0.547550    0.336035
     12          6           0       -3.112492    0.912406    0.380989
     13          8           0       -3.301927    1.545130    1.386242
     14          8           0       -3.236904    1.461286   -0.851756
     15          1           0        1.615792   -1.553364    1.784982
     16          1           0       -0.810943   -1.358118    2.102796
     17          1           0       -1.221792    0.044896   -1.915977
     18          1           0        1.198598   -0.153574   -2.230639
     19          1           0        3.310060   -1.178961   -1.468652
     20          1           0        3.483227   -1.751920    0.180680
     21          1           0        4.918355    0.129746   -0.250425
     22          1           0        2.693477    0.972860    1.666766
     23          1           0        4.350853    1.574253    1.666193
     24          1           0        4.026509   -0.115358    2.061505
     25          1           0        3.596304    1.300958   -2.005766
     26          1           0        4.098076    2.406584   -0.724159
     27          1           0        2.434212    1.826365   -0.784696
     28          1           0       -2.911214   -0.920205    1.337383
     29          6           0       -3.505151   -1.357997   -0.684885
     30          1           0       -3.465219    2.394674   -0.720115
     31          1           0       -3.324283   -1.011646   -1.700587
     32          1           0       -4.575148   -1.279853   -0.485627
     33          1           0       -3.217816   -2.407791   -0.623061
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1743027           0.2878852           0.2796173
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       983.9721115949 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0250258532 Hartrees.
 Nuclear repulsion after empirical dispersion term =      983.9470857417 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              16.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.00D-06  NBF=   507
 NBsUse=   507 1.00D-06 EigRej= -1.00D+00 NBFU=   507
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               9.6 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer11_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:43 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.576643180572    
 DIIS: error= 1.83D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.576643180572     IErMin= 1 ErrMin= 1.83D-03
 ErrMax= 1.83D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.95D-03 BMatP= 7.95D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.83D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 GapD=    0.361 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.03D-02 MaxDP=9.77D+00              OVMax= 1.15D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.29D-02    CP:  1.96D+00
 E= -656.582840783904     Delta-E=       -0.006197603332 Rises=F Damp=F
 DIIS: error= 2.48D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.582840783904     IErMin= 2 ErrMin= 2.48D-04
 ErrMax= 2.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-04 BMatP= 7.95D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.48D-03
 Coeff-Com: -0.445D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.444D-01 0.104D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.27D-02 MaxDP=1.59D+00 DE=-6.20D-03 OVMax= 4.29D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.58D-03    CP:  2.11D+00  1.15D+00
 E= -656.582985528265     Delta-E=       -0.000144744361 Rises=F Damp=F
 DIIS: error= 2.63D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.582985528265     IErMin= 2 ErrMin= 2.48D-04
 ErrMax= 2.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.57D-05 BMatP= 1.28D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.63D-03
 Coeff-Com: -0.351D-01 0.484D+00 0.551D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.350D-01 0.483D+00 0.553D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=7.03D-04 MaxDP=8.83D-02 DE=-1.45D-04 OVMax= 1.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.87D-05    CP:  2.12D+00  1.16D+00  1.08D+00
 E= -656.583045109598     Delta-E=       -0.000059581332 Rises=F Damp=F
 DIIS: error= 4.75D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.583045109598     IErMin= 4 ErrMin= 4.75D-05
 ErrMax= 4.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-06 BMatP= 8.57D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.279D-02-0.167D-01 0.133D+00 0.887D+00
 Coeff:     -0.279D-02-0.167D-01 0.133D+00 0.887D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=3.82D-04 MaxDP=4.88D-02 DE=-5.96D-05 OVMax= 6.45D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.81D-05    CP:  2.13D+00  1.17D+00  1.14D+00  1.49D+00
 E= -656.583048728598     Delta-E=       -0.000003619000 Rises=F Damp=F
 DIIS: error= 2.45D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.583048728598     IErMin= 5 ErrMin= 2.45D-05
 ErrMax= 2.45D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.60D-07 BMatP= 3.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-02-0.484D-01 0.114D-01 0.409D+00 0.626D+00
 Coeff:      0.162D-02-0.484D-01 0.114D-01 0.409D+00 0.626D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=4.11D-05 MaxDP=5.22D-03 DE=-3.62D-06 OVMax= 3.18D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.38D-05    CP:  2.13D+00  1.17D+00  1.16D+00  1.61D+00  1.18D+00
 E= -656.583049448315     Delta-E=       -0.000000719717 Rises=F Damp=F
 DIIS: error= 1.24D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.583049448315     IErMin= 6 ErrMin= 1.24D-05
 ErrMax= 1.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-07 BMatP= 8.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.210D-01-0.112D-01 0.856D-01 0.314D+00 0.632D+00
 Coeff:      0.113D-02-0.210D-01-0.112D-01 0.856D-01 0.314D+00 0.632D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.61D-05 MaxDP=1.83D-03 DE=-7.20D-07 OVMax= 1.05D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.90D-06    CP:  2.13D+00  1.17D+00  1.16D+00  1.64D+00  1.24D+00
                    CP:  1.14D+00
 E= -656.583049551205     Delta-E=       -0.000000102890 Rises=F Damp=F
 DIIS: error= 1.76D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.583049551205     IErMin= 7 ErrMin= 1.76D-06
 ErrMax= 1.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-09 BMatP= 1.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-03-0.121D-02-0.429D-02-0.186D-01 0.401D-01 0.212D+00
 Coeff-Com:  0.772D+00
 Coeff:      0.172D-03-0.121D-02-0.429D-02-0.186D-01 0.401D-01 0.212D+00
 Coeff:      0.772D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.50D-05 MaxDP=1.83D-03 DE=-1.03D-07 OVMax= 3.80D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.01D-06    CP:  2.13D+00  1.17D+00  1.16D+00  1.65D+00  1.27D+00
                    CP:  1.17D+00  1.19D+00
 E= -656.583049560805     Delta-E=       -0.000000009600 Rises=F Damp=F
 DIIS: error= 6.88D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.583049560805     IErMin= 8 ErrMin= 6.88D-07
 ErrMax= 6.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-10 BMatP= 7.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.757D-04 0.196D-02 0.794D-04-0.158D-01-0.256D-01-0.317D-01
 Coeff-Com:  0.201D+00 0.871D+00
 Coeff:     -0.757D-04 0.196D-02 0.794D-04-0.158D-01-0.256D-01-0.317D-01
 Coeff:      0.201D+00 0.871D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=4.74D-06 MaxDP=5.92D-04 DE=-9.60D-09 OVMax= 1.46D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.73D-07    CP:  2.13D+00  1.17D+00  1.15D+00  1.65D+00  1.27D+00
                    CP:  1.19D+00  1.20D+00  1.21D+00
 E= -656.583049561740     Delta-E=       -0.000000000935 Rises=F Damp=F
 DIIS: error= 1.34D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.583049561740     IErMin= 9 ErrMin= 1.34D-07
 ErrMax= 1.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-11 BMatP= 6.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-04 0.650D-03 0.313D-03-0.336D-02-0.883D-02-0.249D-01
 Coeff-Com:  0.904D-02 0.234D+00 0.793D+00
 Coeff:     -0.330D-04 0.650D-03 0.313D-03-0.336D-02-0.883D-02-0.249D-01
 Coeff:      0.904D-02 0.234D+00 0.793D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=3.51D-07 MaxDP=3.04D-05 DE=-9.35D-10 OVMax= 3.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.89D-07    CP:  2.13D+00  1.17D+00  1.15D+00  1.65D+00  1.27D+00
                    CP:  1.18D+00  1.22D+00  1.23D+00  9.77D-01
 E= -656.583049561842     Delta-E=       -0.000000000103 Rises=F Damp=F
 DIIS: error= 4.66D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.583049561842     IErMin=10 ErrMin= 4.66D-08
 ErrMax= 4.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.17D-12 BMatP= 5.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.958D-06-0.903D-04 0.786D-04 0.127D-02 0.160D-02-0.339D-02
 Coeff-Com: -0.243D-01-0.544D-01 0.225D+00 0.855D+00
 Coeff:      0.958D-06-0.903D-04 0.786D-04 0.127D-02 0.160D-02-0.339D-02
 Coeff:     -0.243D-01-0.544D-01 0.225D+00 0.855D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=4.21D-07 MaxDP=4.41D-05 DE=-1.03D-10 OVMax= 1.67D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.82D-08    CP:  2.13D+00  1.17D+00  1.15D+00  1.65D+00  1.27D+00
                    CP:  1.18D+00  1.21D+00  1.23D+00  9.96D-01  1.09D+00
 E= -656.583049561977     Delta-E=       -0.000000000135 Rises=F Damp=F
 DIIS: error= 1.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.583049561977     IErMin=11 ErrMin= 1.90D-08
 ErrMax= 1.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-12 BMatP= 7.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.365D-05-0.100D-03-0.358D-05 0.796D-03 0.156D-02 0.998D-03
 Coeff-Com: -0.101D-01-0.440D-01 0.444D-02 0.329D+00 0.718D+00
 Coeff:      0.365D-05-0.100D-03-0.358D-05 0.796D-03 0.156D-02 0.998D-03
 Coeff:     -0.101D-01-0.440D-01 0.444D-02 0.329D+00 0.718D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=1.30D-05 DE=-1.35D-10 OVMax= 5.66D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.54D-08    CP:  2.13D+00  1.17D+00  1.15D+00  1.65D+00  1.27D+00
                    CP:  1.18D+00  1.21D+00  1.22D+00  9.93D-01  1.18D+00
                    CP:  1.03D+00
 E= -656.583049561779     Delta-E=        0.000000000198 Rises=F Damp=F
 DIIS: error= 6.69D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.583049561977     IErMin=12 ErrMin= 6.69D-09
 ErrMax= 6.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-13 BMatP= 1.06D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-05-0.249D-04-0.128D-04 0.116D-03 0.398D-03 0.808D-03
 Coeff-Com: -0.383D-03-0.887D-02-0.289D-01 0.590D-02 0.262D+00 0.769D+00
 Coeff:      0.123D-05-0.249D-04-0.128D-04 0.116D-03 0.398D-03 0.808D-03
 Coeff:     -0.383D-03-0.887D-02-0.289D-01 0.590D-02 0.262D+00 0.769D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.86D-08 MaxDP=1.62D-06 DE= 1.98D-10 OVMax= 2.30D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.68D-09    CP:  2.13D+00  1.17D+00  1.15D+00  1.65D+00  1.27D+00
                    CP:  1.18D+00  1.21D+00  1.22D+00  9.86D-01  1.18D+00
                    CP:  1.12D+00  1.05D+00
 E= -656.583049561926     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 2.40D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -656.583049561977     IErMin=13 ErrMin= 2.40D-09
 ErrMax= 2.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-14 BMatP= 1.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-06 0.643D-05-0.269D-05-0.727D-04-0.819D-04 0.943D-04
 Coeff-Com:  0.125D-02 0.325D-02-0.936D-02-0.430D-01-0.224D-01 0.227D+00
 Coeff-Com:  0.843D+00
 Coeff:     -0.141D-06 0.643D-05-0.269D-05-0.727D-04-0.819D-04 0.943D-04
 Coeff:      0.125D-02 0.325D-02-0.936D-02-0.430D-01-0.224D-01 0.227D+00
 Coeff:      0.843D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=9.54D-09 MaxDP=1.10D-06 DE=-1.47D-10 OVMax= 9.10D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.95D-09    CP:  2.13D+00  1.17D+00  1.15D+00  1.65D+00  1.27D+00
                    CP:  1.18D+00  1.21D+00  1.22D+00  9.85D-01  1.18D+00
                    CP:  1.13D+00  1.07D+00  1.13D+00
 E= -656.583049561952     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 1.25D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -656.583049561977     IErMin=14 ErrMin= 1.25D-09
 ErrMax= 1.25D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-15 BMatP= 1.42D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.195D-06 0.506D-05 0.522D-06-0.392D-04-0.747D-04-0.661D-04
 Coeff-Com:  0.465D-03 0.216D-02 0.466D-03-0.140D-01-0.394D-01-0.206D-01
 Coeff-Com:  0.279D+00 0.792D+00
 Coeff:     -0.195D-06 0.506D-05 0.522D-06-0.392D-04-0.747D-04-0.661D-04
 Coeff:      0.465D-03 0.216D-02 0.466D-03-0.140D-01-0.394D-01-0.206D-01
 Coeff:      0.279D+00 0.792D+00
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=4.60D-09 MaxDP=6.33D-07 DE=-2.59D-11 OVMax= 4.06D-08

 SCF Done:  E(RwB97XD) =  -656.583049562     A.U. after   14 cycles
            NFock= 14  Conv=0.46D-08     -V/T= 2.0061
 KE= 6.526085053435D+02 PE=-3.495053315382D+03 EE= 1.201914674735D+03
 Leave Link  502 at Wed Sep  8 12:54:02 2021, MaxMem=  6442450944 cpu:           11647.8 elap:            1458.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   507
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    507 NOA=    56 NOB=    56 NVA=   451 NVB=   451

 **** Warning!!: The largest alpha MO coefficient is  0.12845721D+03

 Leave Link  801 at Wed Sep  8 12:54:02 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10227 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.21D-13 8.33D-09 XBig12= 1.00D+00 3.45D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.21D-13 8.33D-09 XBig12= 2.28D-01 7.48D-02.
     11 vectors produced by pass  2 Test12= 4.21D-13 8.33D-09 XBig12= 4.95D-02 6.49D-02.
     11 vectors produced by pass  3 Test12= 4.21D-13 8.33D-09 XBig12= 6.50D-03 1.96D-02.
     11 vectors produced by pass  4 Test12= 4.21D-13 8.33D-09 XBig12= 8.39D-04 5.65D-03.
     11 vectors produced by pass  5 Test12= 4.21D-13 8.33D-09 XBig12= 9.21D-05 1.14D-03.
     11 vectors produced by pass  6 Test12= 4.21D-13 8.33D-09 XBig12= 5.28D-06 3.82D-04.
     11 vectors produced by pass  7 Test12= 4.21D-13 8.33D-09 XBig12= 2.56D-07 7.04D-05.
     11 vectors produced by pass  8 Test12= 4.21D-13 8.33D-09 XBig12= 9.28D-09 1.51D-05.
     11 vectors produced by pass  9 Test12= 4.21D-13 8.33D-09 XBig12= 3.57D-10 3.18D-06.
     10 vectors produced by pass 10 Test12= 4.21D-13 8.33D-09 XBig12= 1.19D-11 5.02D-07.
      7 vectors produced by pass 11 Test12= 4.21D-13 8.33D-09 XBig12= 4.53D-13 8.24D-08.
      3 vectors produced by pass 12 Test12= 4.21D-13 8.33D-09 XBig12= 1.07D-13 2.94D-08.
      1 vectors produced by pass 13 Test12= 4.21D-13 8.33D-09 XBig12= 2.22D-14 1.12D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   131 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.210560D+03
      2 -0.130396D+01  0.138074D+03
      3 -0.682680D+00 -0.667911D+01  0.156771D+03
 Isotropic polarizability for W=    0.088559      168.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.166728D+03  0.554499D+02 -0.352681D+01
      2  -0.906749D+02 -0.325405D+02  0.164878D+02
      3  -0.760528D+02 -0.229094D+02 -0.129610D+02
      4  -0.264229D+02  0.706995D+02 -0.262960D+02
      5  -0.673542D+01 -0.288099D+02  0.997611D+02
      6  -0.115058D+02  0.126119D+02 -0.278952D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.362201D+01 -0.766044D+01  0.222893D+02
      2   0.105582D+02 -0.899037D+01  0.467071D+02
      3  -0.120239D+03 -0.369409D+02  0.124298D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.251390D+01 -0.387590D+01  0.498579D+01
      2   0.320861D+01 -0.147902D+02  0.175814D+03
      3  -0.818728D+02 -0.161374D+03  0.173041D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.109123D+01 -0.807855D+00  0.148767D+02
      2  -0.807855D+00  0.706334D+00 -0.636607D+00
      3   0.148767D+02 -0.636607D+00 -0.198016D+01
 OR G Eigenvalues:   -15.4005     0.6307    14.5871  Iso=     0.0609
 Eigenvectors:
   (1)  -0.669922  -0.004257   0.742419
   (2)   0.051898   0.997269   0.052549
   (3)   0.740615  -0.073734   0.667871
 w=    0.088559 a.u., Optical Rotation Beta=      0.0609 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =       14.96 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 5.85D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.53D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.02D-14 2.78D-09 XBig12= 1.00D+00 3.57D-01.
     30 vectors produced by pass  1 Test12= 7.02D-14 2.78D-09 XBig12= 2.47D-02 3.50D-02.
     30 vectors produced by pass  2 Test12= 7.02D-14 2.78D-09 XBig12= 2.29D-03 8.40D-03.
     30 vectors produced by pass  3 Test12= 7.02D-14 2.78D-09 XBig12= 6.42D-05 1.85D-03.
     30 vectors produced by pass  4 Test12= 7.02D-14 2.78D-09 XBig12= 1.60D-06 2.05D-04.
     30 vectors produced by pass  5 Test12= 7.02D-14 2.78D-09 XBig12= 2.12D-08 1.82D-05.
     30 vectors produced by pass  6 Test12= 7.02D-14 2.78D-09 XBig12= 3.09D-10 1.64D-06.
     30 vectors produced by pass  7 Test12= 7.02D-14 2.78D-09 XBig12= 4.83D-12 1.72D-07.
     29 vectors produced by pass  8 Test12= 7.02D-14 2.78D-09 XBig12= 5.95D-14 1.68D-08.
     15 vectors produced by pass  9 Test12= 7.02D-14 2.78D-09 XBig12= 8.71D-15 9.74D-09.
      1 vectors produced by pass 10 Test12= 7.02D-14 2.78D-09 XBig12= 4.91D-15 5.58D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   285 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 9.75D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 9.75D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.50D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.210560D+03 -0.130396D+01 -0.682680D+00
      2  -0.130396D+01  0.138074D+03 -0.667911D+01
      3  -0.682680D+00 -0.667911D+01  0.156771D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.362201D+01 -0.766044D+01  0.222893D+02
      2   0.105582D+02 -0.899037D+01  0.467071D+02
      3  -0.120239D+03 -0.369409D+02  0.124298D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.166728D+03  0.554499D+02 -0.352681D+01
      2  -0.906749D+02 -0.325405D+02  0.164878D+02
      3  -0.760528D+02 -0.229094D+02 -0.129610D+02
      4  -0.264229D+02  0.706995D+02 -0.262960D+02
      5  -0.673542D+01 -0.288099D+02  0.997611D+02
      6  -0.115058D+02  0.126119D+02 -0.278952D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.901103D+01  0.667586D+00  0.108718D+01 -0.179288D+01  0.157212D+01
      2   0.667586D+00  0.213838D+01 -0.849366D+00  0.157212D+01 -0.349609D+01
      3   0.108718D+01 -0.849366D+00  0.317768D+01  0.175976D+01  0.228551D+01
                 6             7             8             9            10 
      1   0.175976D+01  0.128640D+02  0.138321D+01 -0.801425D+00  0.295247D+02
      2   0.228551D+01  0.138321D+01  0.430820D-01  0.139911D+01  0.155413D+01
      3   0.995982D+00 -0.801425D+00  0.139911D+01  0.100675D+01 -0.117901D+01
                11            12            13            14            15 
      1   0.155413D+01 -0.117901D+01 -0.125028D+01  0.389621D+01  0.146066D+01
      2   0.182047D+01 -0.642120D+00  0.389621D+01 -0.148190D+01 -0.199594D-01
      3  -0.642120D+00  0.301702D+01  0.146066D+01 -0.199594D-01 -0.862169D+00
                16            17            18            19            20 
      1  -0.222999D+01  0.134418D+01  0.117663D+01  0.123826D+02 -0.697063D+00
      2   0.134418D+01  0.391627D+00 -0.102452D+01 -0.697063D+00 -0.265562D+01
      3   0.117663D+01 -0.102452D+01 -0.460149D+00 -0.124021D+01  0.157862D+01
                21            22            23            24            25 
      1  -0.124021D+01 -0.415222D+01 -0.149291D+01 -0.912639D-01  0.110416D+02
      2   0.157862D+01 -0.149291D+01 -0.277245D+01  0.252500D+01 -0.169989D+01
      3  -0.197967D+01 -0.912639D-01  0.252500D+01  0.177650D+01  0.125100D+00
                26            27            28            29            30 
      1  -0.169989D+01  0.125100D+00 -0.275026D+02  0.467336D+00  0.892118D+00
      2   0.134322D+01  0.129311D+01  0.467336D+00 -0.173032D+01  0.280801D+00
      3   0.129311D+01  0.188804D+01  0.892118D+00  0.280801D+00 -0.283973D+01
                31            32            33            34            35 
      1   0.263295D+01 -0.481585D+01 -0.163304D+01  0.314982D+01 -0.145383D+01
      2  -0.481585D+01  0.688275D+00  0.456848D+00 -0.145383D+01  0.797860D-01
      3  -0.163304D+01  0.456848D+00  0.140167D+00 -0.515558D+00 -0.926158D+00
                36            37            38            39            40 
      1  -0.515558D+00  0.953515D+01 -0.913314D+00 -0.819928D+00  0.343233D+01
      2  -0.926158D+00 -0.913314D+00 -0.862547D+00 -0.492405D+00 -0.149333D+01
      3   0.347863D+00 -0.819928D+00 -0.492405D+00 -0.338158D+01 -0.103020D+01
                41            42            43            44            45 
      1  -0.149333D+01 -0.103020D+01 -0.133648D+02  0.397942D+00  0.537097D+00
      2   0.223179D+01 -0.228409D+01  0.397942D+00 -0.115447D+01 -0.834881D+00
      3  -0.228409D+01 -0.125495D+01  0.537097D+00 -0.834881D+00 -0.143779D+01
                46            47            48            49            50 
      1  -0.118775D+02  0.324134D+00  0.843973D+00  0.519302D+01  0.189676D+01
      2   0.324134D+00  0.932207D+00  0.490662D-01  0.189676D+01  0.167939D+01
      3   0.843973D+00  0.490662D-01  0.182210D+01 -0.432363D+00 -0.292343D+01
                51            52            53            54            55 
      1  -0.432363D+00 -0.101094D+02  0.286422D+00 -0.291516D+00 -0.134464D+02
      2  -0.292343D+01  0.286422D+00 -0.152176D+01 -0.939925D+00 -0.293579D+01
      3  -0.207066D+01 -0.291516D+00 -0.939925D+00 -0.185827D+01 -0.486020D+00
                56            57            58            59            60 
      1  -0.293579D+01 -0.486020D+00 -0.681143D+01 -0.703089D+01 -0.327903D+00
      2  -0.378947D+01  0.431207D-01 -0.703089D+01  0.254420D-01 -0.199541D+01
      3   0.431207D-01 -0.159497D+01 -0.327903D+00 -0.199541D+01  0.188276D+01
                61            62            63            64            65 
      1  -0.174119D+01 -0.566343D+00 -0.320871D+01 -0.416622D+01  0.442792D+01
      2  -0.566343D+00 -0.265359D+01  0.298793D+01  0.442792D+01  0.322579D+01
      3  -0.320871D+01  0.298793D+01  0.443922D+01  0.227119D+01 -0.300387D+00
                66            67            68            69            70 
      1   0.227119D+01  0.126031D+02  0.514854D+01 -0.452793D-01  0.510235D+01
      2  -0.300387D+00  0.514854D+01  0.169751D+01  0.328187D+01  0.732096D+00
      3   0.979863D+00 -0.452793D-01  0.328187D+01 -0.297406D+01  0.249642D+00
                71            72            73            74            75 
      1   0.732096D+00  0.249642D+00  0.329910D+01 -0.325686D+01 -0.231471D+01
      2   0.340916D+01 -0.265207D+01 -0.325686D+01 -0.331981D+01 -0.575300D-01
      3  -0.265207D+01 -0.429669D+01 -0.231471D+01 -0.575300D-01 -0.147674D+01
                76            77            78            79            80 
      1  -0.459638D+01 -0.432531D+01  0.161571D-01 -0.260865D+01  0.254071D+00
      2  -0.432531D+01 -0.121491D+01 -0.418673D+01  0.254071D+00 -0.301937D+01
      3   0.161571D-01 -0.418673D+01  0.306614D+01 -0.409268D+00  0.261269D+01
                81            82            83            84            85 
      1  -0.409268D+00  0.323029D+01 -0.390561D+01 -0.130236D+01 -0.597914D+01
      2   0.261269D+01 -0.390561D+01 -0.380379D+01  0.357319D+00 -0.419390D+01
      3   0.262184D+01 -0.130236D+01  0.357319D+00 -0.103364D+01 -0.799433D-01
                86            87            88            89            90 
      1  -0.419390D+01 -0.799433D-01 -0.199644D+01 -0.885806D+00 -0.775985D+00
      2  -0.270845D+01 -0.239667D+01 -0.885806D+00 -0.321194D+01  0.211980D+01
      3  -0.239667D+01  0.315697D+01 -0.775985D+00  0.211980D+01  0.586087D+01
                91            92            93            94            95 
      1   0.510762D+01  0.193390D+01  0.194906D+01 -0.257543D+01  0.549403D+01
      2   0.193390D+01  0.174997D+01  0.409294D+00  0.549403D+01 -0.371315D+01
      3   0.194906D+01  0.409294D+00  0.155707D+01  0.145970D+01  0.573545D+00
                96            97            98            99           100 
      1   0.145970D+01  0.327848D+01  0.201214D+01  0.241510D+01  0.575648D+00
      2   0.573545D+00  0.201214D+01  0.626595D+00  0.263210D+01 -0.116387D+01
      3   0.221577D+01  0.241510D+01  0.263210D+01 -0.307554D+01 -0.150610D+01
               101           102           103           104           105 
      1  -0.116387D+01 -0.150610D+01 -0.213452D+00 -0.641527D+00  0.126055D+01
      2  -0.808378D-02  0.755102D+00 -0.641527D+00  0.278982D+01 -0.175785D+01
      3   0.755102D+00  0.484970D+00  0.126055D+01 -0.175785D+01 -0.292440D+01
               106           107           108           109           110 
      1  -0.368894D+01  0.166520D+01  0.128706D+01 -0.231492D+01  0.182263D+01
      2   0.166520D+01 -0.369666D+01 -0.346463D+01  0.182263D+01 -0.831010D+00
      3   0.128706D+01 -0.346463D+01 -0.211917D+01  0.319338D+01 -0.762481D+00
               111           112           113           114           115 
      1   0.319338D+01  0.289781D+01 -0.274638D+01 -0.170832D+01  0.600521D+01
      2  -0.762481D+00 -0.274638D+01  0.482262D+01  0.388632D+01 -0.284382D+01
      3  -0.132311D+01 -0.170832D+01  0.388632D+01  0.343165D+01 -0.315367D+01
               116           117           118           119           120 
      1  -0.284382D+01 -0.315367D+01  0.624052D+00 -0.608675D+00 -0.144439D+01
      2   0.491888D+01  0.416267D+01 -0.608675D+00  0.186735D+01 -0.116906D+00
      3   0.416267D+01  0.879330D+01 -0.144439D+01 -0.116906D+00 -0.140882D+00
               121           122           123           124           125 
      1  -0.173024D+01  0.316592D+01 -0.380930D+00 -0.373745D+01  0.986274D+00
      2   0.316592D+01 -0.691567D+01 -0.178161D+00  0.986274D+00 -0.152677D+01
      3  -0.380930D+00 -0.178161D+00 -0.162630D+00 -0.992217D+00  0.143618D+01
               126           127           128           129           130 
      1  -0.992217D+00  0.337620D+01 -0.100908D+01  0.242536D+01 -0.179969D+01
      2   0.143618D+01 -0.100908D+01  0.907940D+00 -0.101657D+01  0.659157D+00
      3  -0.405377D+01  0.242536D+01 -0.101657D+01  0.214716D+01 -0.132356D+01
               131           132           133           134           135 
      1   0.659157D+00 -0.132356D+01  0.250127D+01 -0.118726D+01  0.279158D+01
      2  -0.804372D+00  0.877562D+00 -0.118726D+01  0.163259D+01 -0.203935D+01
      3   0.877562D+00 -0.201721D+01  0.279158D+01 -0.203935D+01  0.484141D+01
               136           137           138           139           140 
      1  -0.202793D+01 -0.627563D+00  0.201643D+01 -0.363130D+00 -0.162263D+00
      2  -0.627563D+00 -0.343810D+00  0.633208D+00 -0.162263D+00 -0.481678D+00
      3   0.201643D+01  0.633208D+00 -0.219859D+01  0.632681D+00  0.707210D+00
               141           142           143           144           145 
      1   0.632681D+00  0.203845D+01  0.955222D+00 -0.260109D+01 -0.488336D+01
      2   0.707210D+00  0.955222D+00  0.155437D+01 -0.228379D+01  0.173690D+01
      3  -0.212007D+01 -0.260109D+01 -0.228379D+01  0.707021D+01 -0.192182D+01
               146           147           148           149           150 
      1   0.173690D+01 -0.192182D+01  0.263172D+01 -0.126376D+01  0.106017D+01
      2  -0.117524D+01  0.537626D+00 -0.126376D+01  0.101097D+01 -0.511594D+00
      3   0.537626D+00 -0.182309D+01  0.106017D+01 -0.511594D+00  0.180761D+01
               151           152           153           154           155 
      1  -0.213641D+01  0.578110D+00 -0.263919D+01  0.202540D+01  0.625296D+00
      2   0.578110D+00 -0.923051D+00  0.141346D+01  0.625296D+00  0.280518D+00
      3  -0.263919D+01  0.141346D+01 -0.466674D+01 -0.191426D+01 -0.304887D+00
               156           157           158           159           160 
      1  -0.191426D+01  0.256186D+00  0.184868D+00 -0.518257D+00 -0.227235D+01
      2  -0.304887D+00  0.184868D+00  0.308486D+00 -0.455694D+00 -0.806509D+00
      3   0.203605D+01 -0.518257D+00 -0.455694D+00  0.181846D+01  0.271097D+01
               161           162           163           164           165 
      1  -0.806509D+00  0.271097D+01  0.168299D+01 -0.454800D+00 -0.164175D+01
      2  -0.106652D+01  0.141403D+01 -0.454800D+00  0.935435D+00  0.482080D+00
      3   0.141403D+01 -0.703197D+01 -0.164175D+01  0.482080D+00  0.137714D+01
               166           167           168           169           170 
      1   0.935807D+00  0.151811D+01  0.482573D+00 -0.464581D+01  0.752588D+00
      2   0.151811D+01 -0.118722D+01 -0.123008D+01  0.752588D+00 -0.191473D+01
      3   0.482573D+00 -0.123008D+01 -0.134550D+01  0.295825D+01 -0.254447D+01
               171           172           173           174           175 
      1   0.295825D+01  0.327557D+01 -0.180115D+01  0.109129D+01 -0.256455D+01
      2  -0.254447D+01 -0.180115D+01  0.232027D+01 -0.421990D+00  0.312001D+01
      3  -0.637896D+01  0.109129D+01 -0.421990D+00  0.714525D+00 -0.592778D+00
               176           177           178           179           180 
      1   0.312001D+01 -0.592778D+00  0.447454D+01 -0.979874D+00  0.127114D+01
      2  -0.525386D+01  0.146363D+01 -0.979874D+00  0.279548D+01 -0.162334D+01
      3   0.146363D+01 -0.116118D+01  0.127114D+01 -0.162334D+01  0.102121D+01
               181           182           183           184           185 
      1   0.130826D+02 -0.143630D+01 -0.150803D+01 -0.316855D+01  0.111661D+01
      2  -0.143630D+01  0.116783D+01  0.193263D+00  0.111661D+01 -0.100872D+01
      3  -0.150803D+01  0.193263D+00  0.138662D+01  0.129735D+00 -0.647498D+00
               186           187           188           189           190 
      1   0.129735D+00 -0.216721D+01 -0.667126D-02  0.185755D+01 -0.720727D+01
      2  -0.647498D+00 -0.667126D-02 -0.733340D+00  0.130540D+00  0.139700D+00
      3  -0.563804D-01  0.185755D+01  0.130540D+00 -0.245405D+00  0.592800D+00
               191           192           193           194           195 
      1   0.139700D+00  0.592800D+00 -0.708287D-01 -0.887050D+00 -0.657592D+00
      2  -0.141015D+01 -0.831876D+00 -0.887050D+00  0.773921D+00  0.752971D+00
      3  -0.831876D+00 -0.194508D+01 -0.657592D+00  0.752971D+00  0.390508D+00
               196           197           198           199           200 
      1   0.458530D+00 -0.486014D+00 -0.838502D+00  0.402928D+01  0.303316D+01
      2  -0.486014D+00  0.530262D+00  0.572235D-01  0.303316D+01  0.294740D+01
      3  -0.838502D+00  0.572235D-01  0.974027D+00  0.208928D+01  0.126660D+01
               201           202           203           204           205 
      1   0.208928D+01  0.385897D+01  0.379379D+01  0.187207D+01  0.118334D+01
      2   0.126660D+01  0.379379D+01  0.516654D+01  0.258897D+01  0.856304D+00
      3   0.182268D+01  0.187207D+01  0.258897D+01  0.207605D+01  0.145428D+01
               206           207           208           209           210 
      1   0.856304D+00  0.145428D+01  0.116532D+01 -0.642011D+00  0.149953D+01
      2   0.132375D+01  0.114241D+01 -0.642011D+00  0.127580D+01 -0.657603D+00
      3   0.114241D+01  0.126765D+01  0.149953D+01 -0.657603D+00  0.155870D+01
               211           212           213           214           215 
      1  -0.150339D+01  0.127210D+01 -0.132836D+01  0.157759D+01 -0.652566D+00
      2   0.127210D+01 -0.320802D+01  0.254514D+01 -0.652566D+00  0.207168D+01
      3  -0.132836D+01  0.254514D+01 -0.366883D+01  0.153811D+01 -0.207759D+01
               216           217           218           219           220 
      1   0.153811D+01  0.394635D+00  0.407879D+00 -0.110971D+01 -0.377916D-02
      2  -0.207759D+01  0.407879D+00  0.600180D+00 -0.103414D+00  0.376768D+00
      3   0.395741D+01 -0.110971D+01 -0.103414D+00  0.111256D+01  0.946219D-01
               221           222           223           224           225 
      1   0.376768D+00  0.946219D-01 -0.152112D+01 -0.295393D+00  0.137369D+01
      2  -0.989076D-01 -0.645324D+00 -0.295393D+00 -0.131235D+01  0.280517D+00
      3  -0.645324D+00 -0.134943D+01  0.137369D+01  0.280517D+00 -0.874232D+01
               226           227           228           229           230 
      1   0.338946D+01  0.346847D+01 -0.518738D-01  0.354954D+01  0.431013D+01
      2   0.346847D+01  0.401836D+01 -0.237127D+00  0.431013D+01  0.735488D+01
      3  -0.518738D-01 -0.237127D+00  0.950916D+00 -0.206962D+00 -0.142809D+00
               231           232           233           234           235 
      1  -0.206962D+00  0.993656D+00  0.753546D+00  0.773718D+00 -0.556750D+01
      2  -0.142809D+00  0.753546D+00  0.152866D+01  0.631328D+00  0.128014D+01
      3   0.747431D+00  0.773718D+00  0.631328D+00 -0.170730D+00  0.428117D+00
               236           237           238           239           240 
      1   0.128014D+01  0.428117D+00  0.289623D+01  0.135424D+00 -0.130404D+00
      2  -0.180590D+01  0.264974D+00  0.135424D+00  0.210999D+01 -0.208958D-01
      3   0.264974D+00 -0.104494D+01 -0.130404D+00 -0.208958D-01  0.218024D+00
               241           242           243           244           245 
      1   0.602374D+00 -0.197536D+00 -0.414103D+00  0.433727D-01 -0.852963D+00
      2  -0.197536D+00  0.610977D+00  0.116464D+00 -0.852963D+00 -0.627807D+00
      3  -0.414103D+00  0.116464D+00 -0.369669D+00  0.116733D+01  0.208676D+00
               246           247           248           249           250 
      1   0.116733D+01 -0.126448D+01 -0.110766D+01  0.357798D+00  0.261378D+01
      2   0.208676D+00 -0.110766D+01 -0.861291D+00  0.112305D+01  0.378374D+00
      3  -0.109846D+01  0.357798D+00  0.112305D+01 -0.149631D+01 -0.181058D+01
               251           252           253           254           255 
      1   0.378374D+00 -0.181058D+01  0.742539D+01 -0.127179D+01 -0.219070D+01
      2   0.150450D+01 -0.133224D+01 -0.127179D+01 -0.314641D+01 -0.107430D+01
      3  -0.133224D+01  0.513729D+01 -0.219070D+01 -0.107430D+01 -0.161356D+01
               256           257           258           259           260 
      1  -0.419475D+01 -0.271687D+01 -0.132506D+01 -0.660641D+01 -0.152068D+01
      2  -0.271687D+01  0.510007D+01 -0.428219D+00 -0.152068D+01 -0.183371D+01
      3  -0.132506D+01 -0.428219D+00 -0.240849D+01 -0.210082D+01 -0.244791D+01
               261           262           263           264           265 
      1  -0.210082D+01 -0.112611D+01  0.143315D+01 -0.596525D+00  0.244817D+01
      2  -0.244791D+01  0.143315D+01 -0.161750D+01  0.424423D+00 -0.343629D+01
      3   0.267060D+01 -0.596525D+00  0.424423D+00 -0.439256D+00  0.856180D+00
               266           267           268           269           270 
      1  -0.343629D+01  0.856180D+00 -0.988878D-01 -0.214663D+00 -0.325182D+00
      2   0.896510D+01 -0.184980D+01 -0.214663D+00  0.410584D+00  0.628443D+00
      3  -0.184980D+01  0.161557D+01 -0.325182D+00  0.628443D+00 -0.688426D+00
               271           272           273           274           275 
      1  -0.143147D+00  0.443213D+00 -0.389199D+00  0.142274D+01  0.288262D+00
      2   0.443213D+00  0.483651D+00  0.213531D+00  0.288262D+00  0.141515D+00
      3  -0.389199D+00  0.213531D+00  0.418792D+00  0.374861D+00 -0.583653D+00
               276           277           278           279           280 
      1   0.374861D+00 -0.197126D+01 -0.217309D+00 -0.716122D+00 -0.148087D+02
      2  -0.583653D+00 -0.217309D+00 -0.125524D+01  0.332639D+00 -0.147321D+01
      3   0.125851D+01 -0.716122D+00  0.332639D+00 -0.601867D+01 -0.162166D+00
               281           282           283           284           285 
      1  -0.147321D+01 -0.162166D+00  0.979710D+00 -0.105166D+01  0.141467D+00
      2  -0.129755D+01 -0.153793D+00 -0.105166D+01 -0.500980D+00  0.101847D+00
      3  -0.153793D+00 -0.104791D+01  0.141467D+00  0.101847D+00  0.349839D+00
               286           287           288           289           290 
      1   0.211901D+01  0.401410D+00 -0.101587D+01 -0.865204D-01 -0.715505D+00
      2   0.401410D+00  0.515996D+00  0.109962D+00 -0.715505D+00  0.175347D+01
      3  -0.101587D+01  0.109962D+00  0.857695D-01  0.231730D+00  0.325056D+00
               291           292           293           294           295 
      1   0.231730D+00 -0.170370D+01 -0.583152D+00 -0.146767D+00  0.892269D+00
      2   0.325056D+00 -0.583152D+00 -0.915865D+01 -0.911594D+00  0.277069D+00
      3   0.417356D+00 -0.146767D+00 -0.911594D+00 -0.107566D+01  0.898923D-01
               296           297 
      1   0.277069D+00  0.898923D-01
      2   0.532305D+00 -0.709736D+00
      3  -0.709736D+00 -0.369178D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.193295D+01  0.121183D+01  0.368071D+01  0.923755D+01  0.174470D+01
      2  -0.116758D+01 -0.201803D+01  0.338730D+01 -0.398869D+01 -0.169975D+01
      3   0.155798D+02 -0.151018D+01 -0.140705D+01  0.131456D+02  0.187452D+01
                 6             7             8             9            10 
      1  -0.234636D+01  0.253526D+01  0.378605D+01  0.205517D+00 -0.229507D+01
      2   0.796052D+00 -0.378432D+01  0.766331D+00 -0.410241D+00 -0.711731D+00
      3  -0.512813D+01 -0.140706D+02 -0.227440D+01 -0.101499D+01 -0.380459D+02
                11            12            13            14            15 
      1  -0.455334D+00  0.161290D+01  0.311994D+01  0.468327D+01 -0.916888D+01
      2   0.484113D+00 -0.247129D+01  0.399200D+01 -0.353123D+00  0.341684D-02
      3  -0.173735D+01  0.116256D+01  0.103455D+02 -0.230264D+01 -0.926798D+00
                16            17            18            19            20 
      1  -0.361349D+01 -0.272228D+01 -0.371211D+01 -0.195648D+01 -0.598528D+00
      2  -0.232393D+02 -0.167388D+01 -0.384514D+01 -0.665254D+00 -0.247615D+01
      3  -0.112125D+01 -0.879886D+00 -0.127051D+01 -0.158655D+02 -0.191182D+00
                21            22            23            24            25 
      1  -0.214312D+01 -0.482910D+01  0.152445D+01  0.687380D+00 -0.104959D+01
      2   0.792733D+01 -0.273023D+01  0.161640D+01 -0.203946D+01 -0.667205D+01
      3   0.276101D+01  0.159816D+02 -0.105984D+01  0.253486D+01 -0.114954D+02
                26            27            28            29            30 
      1   0.358977D+01  0.257323D+01  0.965738D-01  0.153758D+01 -0.277156D+01
      2  -0.952083D+00  0.142705D+01  0.357852D+01  0.853689D+00 -0.321425D+01
      3   0.368787D+01  0.186995D+01  0.330938D+02 -0.648234D+00 -0.228447D+01
                31            32            33            34            35 
      1  -0.557613D+00  0.429005D+01 -0.938699D+01 -0.545938D+01 -0.181255D+01
      2   0.392259D+01 -0.140059D+00  0.240722D+01 -0.253602D+02  0.466032D+01
      3   0.779318D+01  0.512167D+01  0.975155D+00 -0.725566D+01 -0.106079D+01
                36            37            38            39            40 
      1  -0.301664D+01  0.559600D+00  0.904977D+00 -0.186921D+01  0.513225D+01
      2   0.134432D+01 -0.480860D+01 -0.200953D+01  0.363008D+01 -0.494436D+01
      3   0.221737D+01 -0.135763D+02 -0.532522D+00  0.322083D+01  0.728995D+01
                41            42            43            44            45 
      1  -0.191242D+01 -0.324151D+01  0.365896D+01  0.221106D+01 -0.189502D+01
      2  -0.171311D+01  0.128082D+01 -0.118873D+01  0.518322D+00 -0.227881D+01
      3   0.135159D+01 -0.258904D+01  0.199310D+02 -0.192831D+01 -0.465436D+01
                46            47            48            49            50 
      1   0.186044D+01 -0.183629D+01  0.136100D+01 -0.737147D+01 -0.218726D+01
      2   0.420251D+01 -0.269827D+01  0.950914D+01 -0.291061D+01  0.202336D+01
      3   0.204721D+02 -0.195069D+01  0.269644D+01  0.703228D+01 -0.144362D+01
                51            52            53            54            55 
      1  -0.230334D+01 -0.100486D+01  0.252203D+01 -0.334888D+00  0.138015D+01
      2  -0.361786D+01 -0.418559D+01 -0.129142D+01  0.284650D+01 -0.645581D+01
      3   0.273678D+01  0.156217D+02  0.706848D+00  0.266981D+01  0.240391D+02
                56            57            58            59            60 
      1   0.153668D+01 -0.229563D+00  0.354670D+01 -0.291475D+01  0.263305D+01
      2  -0.468268D+00 -0.355899D+01 -0.359399D+01 -0.117560D+02  0.849697D+01
      3   0.130804D+02 -0.806346D-01  0.400124D+02  0.104606D+02  0.819378D+01
                61            62            63            64            65 
      1  -0.561027D+00  0.789889D+01  0.398615D+01 -0.163699D+01  0.327780D-02
      2  -0.199741D+02  0.998999D+01  0.149955D+02  0.111728D+02 -0.431648D+00
      3   0.382498D+01  0.108077D+02 -0.579089D+01 -0.281798D+02 -0.170313D+02
                66            67            68            69            70 
      1  -0.892766D+00 -0.274095D+01 -0.217259D+01 -0.229728D+01  0.274180D+01
      2   0.746547D+01  0.397041D+01  0.154098D+02 -0.134797D+02 -0.837709D+00
      3   0.183505D+01 -0.272635D+02 -0.859548D+01 -0.134858D+02 -0.563957D+01
                71            72            73            74            75 
      1   0.534692D+01  0.204206D+01 -0.183885D+01 -0.619159D+01  0.938958D+00
      2  -0.113246D+02 -0.177924D+02 -0.178354D+02  0.527667D+01  0.228245D+01
      3  -0.146780D+02  0.928826D+01  0.173999D+02  0.921434D+01 -0.258170D+01
                76            77            78            79            80 
      1  -0.869561D+01  0.132875D+01 -0.139190D+02  0.871371D+00 -0.692668D+01
      2   0.649728D+01 -0.100746D+02  0.128414D+02  0.255468D+01  0.107069D+02
      3   0.169155D+02  0.210394D+01  0.160082D+02 -0.309500D+01  0.118241D+02
                81            82            83            84            85 
      1   0.321989D+01  0.594124D+01  0.410873D+01  0.172010D+01  0.609755D+01
      2   0.128304D+02  0.548773D+00 -0.373393D+01 -0.302981D+01 -0.729546D+01
      3  -0.107087D+02  0.246645D+02  0.461023D+01 -0.234600D+01  0.824715D+01
                86            87            88            89            90 
      1   0.918463D+01 -0.531952D+01  0.333313D+01  0.228378D+01 -0.156175D+02
      2  -0.142688D+02  0.124530D+02 -0.620100D+01  0.801751D+01  0.197285D+02
      3   0.166276D+01  0.100799D+02  0.884070D+00  0.115868D+02 -0.863197D+01
                91            92            93            94            95 
      1   0.164254D+01 -0.108262D+01  0.152846D+01  0.655645D+00 -0.171950D+01
      2  -0.106454D+02  0.117888D+00 -0.187976D+01 -0.716981D+00 -0.439281D+01
      3  -0.384148D+01  0.302632D+00 -0.722499D+00  0.322871D+02 -0.168673D+02
                96            97            98            99           100 
      1  -0.219749D+01  0.104243D+01  0.517203D+01  0.253678D+00  0.146887D+01
      2  -0.961840D+01 -0.162756D+02 -0.919557D+01  0.106026D+02  0.532448D+01
      3  -0.101192D+01  0.187043D+01 -0.731559D+00  0.639916D+01  0.131844D+02
               101           102           103           104           105 
      1   0.146377D+01 -0.344898D+01  0.778857D+00 -0.151968D+01  0.193597D+01
      2  -0.372161D+01  0.791192D+01 -0.191740D+01  0.544076D+01  0.170254D+02
      3  -0.157139D+02  0.164515D+01 -0.723685D+01  0.116324D+01 -0.415588D+01
               106           107           108           109           110 
      1  -0.350393D+01 -0.125596D+01  0.446457D+01 -0.338474D+01 -0.200147D+01
      2  -0.143898D+01  0.132114D+02  0.856782D+01 -0.828486D+01  0.214748D+01
      3   0.963655D+01 -0.121885D+02 -0.101919D+02 -0.236409D+00 -0.150073D+00
               111           112           113           114           115 
      1   0.194363D+01 -0.190889D+01  0.411742D+01 -0.659672D+01  0.606131D+00
      2   0.398326D+01 -0.146206D+01 -0.105658D+02 -0.139366D+02  0.152079D+01
      3  -0.135558D+00 -0.377596D+01  0.191453D+02  0.121671D+02 -0.107100D+02
               116           117           118           119           120 
      1   0.660165D+01 -0.102893D+02  0.417486D+01 -0.816121D+00  0.324863D+00
      2  -0.122831D+02 -0.301765D+02  0.597513D+01 -0.666605D+00  0.166582D+01
      3   0.175415D+02  0.123925D+02 -0.354256D+01  0.449270D+01 -0.272468D+01
               121           122           123           124           125 
      1  -0.172813D+01  0.467573D+01 -0.135437D+01 -0.124180D+01  0.634867D+01
      2   0.215689D+00  0.337957D+01 -0.734288D+00 -0.147964D+01 -0.396083D+01
      3   0.861734D+01 -0.189466D+02 -0.140632D+01  0.222077D+01 -0.573569D+01
               126           127           128           129           130 
      1   0.777951D+01  0.298445D+01  0.125138D+01  0.275355D+01 -0.185015D+01
      2   0.150499D+02 -0.463109D+01 -0.352841D-01 -0.152583D+00  0.128911D+01
      3   0.519845D+01 -0.534015D+01 -0.100627D+01 -0.252630D+01  0.377953D+01
               131           132           133           134           135 
      1   0.241765D+00 -0.367877D+01  0.297157D+01  0.124827D+01  0.500881D+01
      2   0.171257D+00 -0.113421D+01 -0.264042D+01 -0.520719D+00  0.221879D+01
      3   0.610432D+00  0.841718D+00 -0.315993D+01 -0.148718D+01 -0.182567D+01
               136           137           138           139           140 
      1   0.207947D+01 -0.885219D+00 -0.249546D+01  0.935946D+00  0.156471D+00
      2   0.426138D+01  0.418894D+00 -0.100400D+01  0.521540D+00  0.514810D-02
      3   0.296102D+01 -0.355273D-01 -0.216158D+01  0.167901D+01 -0.201220D+00
               141           142           143           144           145 
      1  -0.358825D+01 -0.195774D+01  0.212242D+01  0.610893D+01 -0.440852D+01
      2   0.660145D+00 -0.454760D+01 -0.454253D+00 -0.549518D+00 -0.108323D+02
      3  -0.668731D+00 -0.262480D+01  0.821154D+00  0.226479D+01  0.133589D+01
               146           147           148           149           150 
      1   0.430380D+01 -0.781828D+00  0.313307D+01 -0.261295D+01 -0.657771D+00
      2   0.330559D+01 -0.119259D+01  0.466542D+01 -0.230452D+01  0.988066D-01
      3  -0.203540D+01  0.747482D+00 -0.315977D-01  0.159043D+01 -0.162337D+00
               151           152           153           154           155 
      1  -0.121165D+01  0.363496D+01 -0.310684D+01 -0.243256D+01 -0.208209D+01
      2  -0.392106D+01 -0.207298D+00  0.339062D+00  0.465549D+01  0.117324D+01
      3   0.448510D+00 -0.219855D+01  0.171518D+01 -0.663405D+00 -0.994910D+00
               156           157           158           159           160 
      1   0.125389D+01 -0.549617D+00 -0.117542D+01 -0.231299D+00  0.328212D+01
      2  -0.103196D+01  0.449579D+00  0.892622D-01  0.441256D+00 -0.493772D+01
      3   0.989950D+00  0.107080D+01 -0.366968D+00  0.299623D+00  0.136389D+01
               161           162           163           164           165 
      1   0.535431D+01 -0.551283D+01 -0.126221D+01 -0.539764D+00  0.138839D+01
      2  -0.527127D+00 -0.208755D+01 -0.578003D+01  0.847125D+00  0.549558D+01
      3   0.223044D+01 -0.188883D+01 -0.109547D+01 -0.400391D+01  0.621380D+00
               166           167           168           169           170 
      1  -0.170278D+00 -0.182525D+00 -0.218440D+01  0.267319D+01  0.965490D+00
      2   0.169479D+01 -0.322668D+01 -0.474528D+01  0.507767D+01 -0.894473D+01
      3  -0.481036D+01  0.218204D+01  0.295979D+01  0.351816D+01  0.589634D+01
               171           172           173           174           175 
      1  -0.686614D+01  0.174974D+01 -0.125598D+01  0.177644D+01 -0.230746D+01
      2  -0.215187D+02  0.644395D+01 -0.248838D+01  0.488982D+01 -0.294753D+01
      3   0.430626D+01  0.221669D+01 -0.712137D+01  0.228394D+00 -0.513506D+01
               176           177           178           179           180 
      1   0.373435D+01 -0.462895D+01  0.181569D+01 -0.204596D+01  0.298539D+01
      2   0.736378D+01 -0.555876D+01  0.428599D+01 -0.668944D+01  0.445978D+01
      3   0.144361D+02 -0.401285D+01 -0.288237D+01 -0.908025D+01  0.380212D+01
               181           182           183           184           185 
      1   0.283271D+00 -0.542880D+00 -0.217462D+00  0.864936D-01  0.447726D+00
      2  -0.336088D+01  0.545541D+00  0.918292D+01 -0.369987D+00 -0.295983D+01
      3   0.553385D+01 -0.868755D+01 -0.820325D+00 -0.181624D+01  0.465475D+01
               186           187           188           189           190 
      1  -0.106471D+01 -0.484181D+00  0.100441D+01 -0.163276D+00 -0.206302D+01
      2   0.118601D+00  0.576504D+01  0.680227D+00 -0.516443D+00  0.202810D+02
      3   0.313280D+01  0.565861D+00  0.387555D+01 -0.880941D+00 -0.917831D+01
               191           192           193           194           195 
      1  -0.278549D+01  0.131619D+01 -0.181001D+01  0.100480D+00 -0.109946D+00
      2  -0.324880D+01 -0.758854D+01 -0.225309D+01  0.498965D+01  0.198844D+01
      3   0.379029D+01  0.399285D+01  0.512430D+01 -0.276285D+01 -0.316220D+01
               196           197           198           199           200 
      1   0.661979D+00  0.189241D+01 -0.446075D+00  0.337646D+01  0.509833D+01
      2  -0.750428D+01  0.976874D+00  0.474429D+01  0.213282D+01  0.334556D+00
      3   0.265128D+01 -0.176884D+01 -0.120272D+01 -0.874451D+01 -0.114196D+02
               201           202           203           204           205 
      1  -0.602386D+00  0.548551D+01  0.753617D+01  0.704553D-01  0.922794D+00
      2   0.608975D+01 -0.109479D+00  0.477705D+01  0.700064D+01  0.228849D+01
      3  -0.356766D+01 -0.999424D+01 -0.192572D+02 -0.915293D+01 -0.161010D+01
               206           207           208           209           210 
      1   0.286136D+01  0.579379D+00 -0.241547D+01  0.322102D+01 -0.199448D+01
      2   0.276869D+01  0.320979D+01  0.524596D+01 -0.142254D+01  0.495540D+01
      3  -0.510798D+01 -0.360830D+01  0.242527D+01 -0.591711D+01  0.321671D+01
               211           212           213           214           215 
      1   0.271831D+01 -0.961054D+01  0.533486D+01 -0.221186D+01  0.794445D+01
      2  -0.114495D+01  0.870110D+01 -0.138043D+02  0.109455D+01 -0.765194D+01
      3  -0.315439D+01  0.139479D+02 -0.990186D+01  0.246781D+01 -0.869266D+01
               216           217           218           219           220 
      1  -0.598150D+01  0.133231D+01 -0.711786D+00 -0.154983D+01 -0.368304D+00
      2   0.136963D+02 -0.428756D+01 -0.184864D+00  0.331745D+01 -0.371495D+00
      3   0.850903D+01 -0.221965D+01 -0.246000D+01 -0.932900D+00 -0.348513D+00
               221           222           223           224           225 
      1   0.186916D+01  0.228257D+01 -0.161360D+01  0.504911D+01  0.158056D+02
      2  -0.188275D+01 -0.533061D+01 -0.530279D+00  0.365983D+00 -0.306931D+02
      3   0.140268D+01  0.191899D+01 -0.127034D+01  0.472855D+01 -0.907825D+00
               226           227           228           229           230 
      1  -0.397149D+01 -0.441075D+01 -0.313574D+01 -0.542554D+01 -0.848144D+01
      2   0.324443D+01  0.242287D+01  0.535203D+01  0.349207D+01  0.380887D+01
      3  -0.696997D+01 -0.112357D+02  0.123078D+01 -0.649074D+01 -0.216977D+02
               231           232           233           234           235 
      1  -0.397846D+01 -0.218255D+01 -0.161780D+01 -0.824568D+00 -0.150122D+01
      2   0.375788D+01  0.327871D+01  0.271620D+01  0.234944D+00 -0.736521D+01
      3   0.388968D+00 -0.824613D+00 -0.516104D+01 -0.120664D+01 -0.216848D+02
               236           237           238           239           240 
      1   0.142625D+01  0.274999D+01 -0.274172D+00 -0.228184D+01 -0.863197D+00
      2   0.256772D+01 -0.135350D+01  0.332257D+01 -0.100257D+00 -0.532893D+00
      3   0.669722D+01 -0.426086D-01  0.589046D+01 -0.688277D+01 -0.427249D+00
               241           242           243           244           245 
      1   0.181064D+01  0.703715D+00  0.149588D+00  0.119489D-01 -0.455782D+00
      2  -0.308133D+01 -0.359364D+00 -0.181456D+01 -0.485453D+01 -0.371279D+00
      3   0.155029D+01 -0.250058D+01 -0.139239D+01 -0.302880D+01 -0.209909D+01
               246           247           248           249           250 
      1  -0.608788D+00 -0.116547D+00  0.233097D+00 -0.157634D+01 -0.625331D+00
      2   0.375602D+01  0.172610D+00 -0.288964D+01  0.502335D+01  0.844589D+00
      3   0.333714D-01 -0.758106D+00 -0.193843D+01  0.293489D+01 -0.107306D+01
               251           252           253           254           255 
      1   0.234527D+01  0.244536D+01 -0.189896D+01  0.724029D+00 -0.232758D+01
      2   0.420978D+01 -0.159002D+02  0.182802D+02  0.448850D+01  0.830783D+01
      3   0.438924D+01 -0.303034D+01 -0.161555D+02 -0.117471D+02 -0.617143D+00
               256           257           258           259           260 
      1  -0.132332D+01 -0.626541D+01 -0.554597D+01 -0.122396D+01 -0.108619D+01
      2   0.401066D+01  0.169006D+00  0.835044D+01  0.568460D+01  0.931372D+01
      3  -0.301153D+01  0.238960D+02  0.912956D+00  0.180608D+01 -0.249373D+01
               261           262           263           264           265 
      1   0.755683D+01  0.794842D-01  0.470143D+00  0.765356D+00  0.951520D+00
      2  -0.149720D+02  0.136385D+01 -0.806264D+00  0.142799D+01 -0.137077D+01
      3  -0.661888D+01  0.307415D+01 -0.372783D+01  0.137133D+01 -0.666306D+01
               266           267           268           269           270 
      1  -0.385497D+01 -0.324168D+01 -0.385688D+00  0.441741D+00 -0.528535D+00
      2   0.473793D+01 -0.550284D+01  0.343167D+00 -0.151687D+01  0.175132D+01
      3   0.278650D+02 -0.564195D+01 -0.600482D+00  0.154555D+01  0.186723D+01
               271           272           273           274           275 
      1  -0.170589D+01 -0.748509D+00  0.446028D+00 -0.814808D-01 -0.207557D+01
      2   0.454809D+01  0.223777D+00 -0.222341D+01  0.140071D+01  0.302855D+01
      3   0.213901D+01  0.885112D+00  0.900039D+00  0.654636D+00  0.432021D+00
               276           277           278           279           280 
      1   0.193480D+01 -0.136058D+00  0.464185D+01 -0.100669D+02  0.791802D+00
      2  -0.528856D+01 -0.272612D+01 -0.236607D+01  0.239959D+02 -0.903924D+01
      3  -0.255315D+01  0.126925D+01 -0.449235D+01  0.279692D+01  0.149582D+02
               281           282           283           284           285 
      1   0.769998D+00 -0.185238D+01  0.845612D+00  0.483989D+00  0.166535D-01
      2  -0.116857D+00  0.793895D+01 -0.590808D+00 -0.103585D+01 -0.127609D+01
      3  -0.654941D+01 -0.721385D+00 -0.412459D+01 -0.491965D+00  0.365418D+00
               286           287           288           289           290 
      1  -0.170761D+01  0.859686D+00 -0.894372D-01  0.102533D+01 -0.631598D+00
      2   0.405213D+01 -0.692802D+00 -0.557879D+00 -0.873877D+00 -0.165062D+01
      3  -0.139420D+01  0.162012D+01  0.196617D+01 -0.405812D+01  0.639021D+01
               291           292           293           294           295 
      1   0.136067D+01 -0.276398D+00  0.595592D+01 -0.380680D+01  0.596191D+00
      2  -0.138358D+01 -0.899142D+00  0.365199D+01  0.385600D+01 -0.155248D+01
      3   0.360381D+00  0.403681D+01 -0.317371D+02 -0.240523D+01 -0.803188D+00
               296           297 
      1  -0.319939D+00 -0.541417D-01
      2   0.236048D+01  0.141159D+01
      3   0.119852D+01 -0.243733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.691995D+01  0.117312D+02 -0.237536D+02 -0.123138D+01 -0.139524D+02
      2   0.206637D+01 -0.966832D+01  0.798538D+01 -0.710358D+01  0.230480D+02
      3   0.485358D+01 -0.206291D+01  0.157682D+02  0.833495D+01 -0.909564D+01
      4   0.113591D+02 -0.295403D+00  0.619463D+01  0.908701D+01 -0.658661D+01
      5  -0.123655D+02  0.544895D+01 -0.666523D+00  0.944642D+01  0.321743D+01
      6   0.440403D+01  0.533864D+01 -0.545103D+01 -0.580093D+00 -0.681823D+01
                 6             7             8             9            10 
      1   0.651731D+01  0.360874D+02 -0.236959D+01  0.102435D+02  0.494270D+02
      2  -0.125397D+02 -0.100990D+02 -0.197276D+01 -0.557911D+01 -0.237838D+02
      3   0.602239D+01 -0.259883D+02  0.434235D+01 -0.466437D+01 -0.256432D+02
      4   0.220335D+01 -0.438535D+01  0.129670D+01  0.641436D+01 -0.993487D+01
      5   0.694315D+01  0.625574D+01  0.670703D+01 -0.506627D+01 -0.675931D+01
      6   0.449440D+01  0.105783D+02 -0.248116D+01  0.669563D+01  0.254990D+01
                11            12            13            14            15 
      1   0.867631D+01 -0.123939D+01  0.117318D+02 -0.324035D+01  0.555639D+01
      2  -0.851582D+01  0.348086D+01 -0.140675D+02  0.737737D+01 -0.106868D+01
      3  -0.160489D+00 -0.224147D+01  0.233568D+01 -0.413702D+01 -0.448772D+01
      4   0.749116D+00 -0.319531D+01  0.137497D+02 -0.913365D+01 -0.701612D+00
      5  -0.374181D+01  0.938617D+01  0.138912D+02  0.904151D+00 -0.403042D+01
      6   0.952459D+00 -0.742645D+01 -0.377555D+01  0.444989D+01  0.885704D+01
                16            17            18            19            20 
      1  -0.695244D+01  0.634638D+01 -0.186131D+02  0.711372D+01 -0.137098D+02
      2  -0.231452D+01  0.453346D+01  0.213873D+01  0.739685D+00  0.131008D+02
      3   0.926696D+01 -0.108798D+02  0.164744D+02 -0.785340D+01  0.608983D+00
      4   0.158532D+02 -0.251433D+00 -0.247184D+01 -0.936504D+01 -0.576631D+00
      5  -0.155268D+02 -0.355917D+01 -0.277858D+01  0.134137D+02  0.198712D+01
      6  -0.519838D+01  0.131184D+01 -0.402195D+01 -0.172918D+01 -0.631364D+01
                21            22            23            24            25 
      1   0.220027D+02  0.428890D+01 -0.119858D+02 -0.482338D+01 -0.175794D+02
      2  -0.125441D+02  0.401084D+01  0.182215D+02 -0.109113D+02  0.105207D+01
      3  -0.945866D+01 -0.829975D+01 -0.623568D+01  0.157347D+02  0.165274D+02
      4   0.272643D+01  0.143509D+02  0.660615D+01 -0.232450D+01 -0.372834D+01
      5  -0.111638D+02 -0.103362D+01 -0.146816D+01 -0.128137D+01  0.928368D+01
      6   0.684563D+01 -0.481084D+00 -0.781104D+01  0.618774D+01 -0.101480D+02
                26            27            28            29            30 
      1  -0.350127D+01  0.731341D+01  0.171153D+02 -0.398109D+01  0.276295D+01
      2  -0.391872D+01 -0.917019D+00 -0.385393D+01  0.743330D+01  0.329065D+00
      3   0.741999D+01 -0.639639D+01 -0.132614D+02 -0.345221D+01 -0.309202D+01
      4  -0.215784D+01 -0.573474D+01  0.187518D+02  0.199688D+01 -0.226151D+01
      5  -0.580215D+01  0.726392D+01  0.385453D+01 -0.184659D+01  0.739630D+01
      6   0.177558D+01  0.770201D+01  0.350811D+01 -0.101812D+01  0.554270D+01
                31            32            33            34            35 
      1  -0.353705D+01 -0.174155D+01  0.711159D+01 -0.701133D+01  0.875045D+01
      2   0.844240D+01  0.516751D+01 -0.208782D+01  0.160545D+01  0.307136D+01
      3  -0.490535D+01 -0.342595D+01 -0.502376D+01  0.540588D+01 -0.118218D+02
      4   0.134897D+02  0.125258D+01  0.160373D+01  0.112960D+02  0.542926D+01
      5   0.124921D+02  0.287223D+00  0.149165D+01 -0.182022D+02  0.340516D+01
      6  -0.135083D+01  0.361618D+01  0.608957D+01 -0.912176D+00  0.491386D+00
                36            37            38            39            40 
      1  -0.169555D+02 -0.395323D+01  0.512467D+01 -0.247176D+02 -0.857402D+01
      2   0.299127D+01 -0.163831D+01 -0.164964D+01  0.648978D+01 -0.186625D+01
      3   0.139642D+02  0.559154D+01 -0.347504D+01  0.182278D+02  0.104403D+02
      4   0.180791D+01  0.631277D+01 -0.167766D+01  0.308880D+01  0.319328D+01
      5   0.128911D+01 -0.167979D+02  0.279152D+01 -0.189802D+01  0.123218D+01
      6  -0.675908D+01  0.295683D+01  0.561858D+01  0.669506D+01  0.261565D+01
                41            42            43            44            45 
      1  -0.592510D+01 -0.579195D+01  0.219002D+02 -0.895341D+01  0.647670D+01
      2   0.578733D+01  0.248887D+00 -0.236571D-01  0.158100D+01 -0.128675D+01
      3   0.137773D+00  0.554306D+01 -0.218765D+02  0.737241D+01 -0.518995D+01
      4  -0.341363D+00  0.349006D+01  0.204698D+01  0.391154D+01  0.610528D+01
      5   0.157268D+01  0.738797D+01  0.115812D+02  0.515216D+01 -0.592167D+01
      6   0.299320D+01  0.852803D+01  0.106139D+02  0.277272D+01  0.106536D+02
                46            47            48            49            50 
      1  -0.481958D+00 -0.855527D+01  0.210104D+02  0.122644D+02 -0.275404D+01
      2   0.690789D+01  0.335097D+01 -0.752662D+01 -0.335647D+01  0.286389D+01
      3  -0.642593D+01  0.520430D+01 -0.134837D+02 -0.890795D+01 -0.109847D+00
      4  -0.399429D+01  0.259637D+01 -0.174700D+01  0.823939D+01  0.449467D+01
      5   0.200160D+02  0.139412D+00 -0.823520D+01 -0.838426D+01 -0.381628D+01
      6   0.430720D+00 -0.386432D+01  0.310783D-01 -0.157972D+01  0.459588D+01
                51            52            53            54            55 
      1  -0.174578D+02 -0.227603D+02 -0.960682D+01  0.404368D+01 -0.271683D+02
      2   0.308064D+01  0.366900D+01  0.255970D+01  0.453738D+01  0.126055D+02
      3   0.143772D+02  0.190913D+02  0.704712D+01 -0.858106D+01  0.145628D+02
      4  -0.434247D+01  0.363538D+01 -0.258301D+01 -0.468101D+01 -0.831674D+01
      5  -0.246257D+01  0.989911D+01 -0.365237D+01  0.591598D+01 -0.551427D+01
      6   0.133656D+02 -0.573964D+01  0.666792D+01  0.138468D+02  0.141231D+01
                56            57            58            59            60 
      1  -0.101255D+02 -0.521932D+01 -0.345370D+02 -0.253120D+02  0.152928D+01
      2   0.689412D+01  0.298073D+00  0.242843D+02  0.697218D+01  0.603546D+01
      3   0.323138D+01  0.492125D+01  0.102527D+02  0.183398D+02 -0.756474D+01
      4  -0.280868D+02  0.107739D+01 -0.472839D+02  0.106962D+02 -0.154922D+02
      5   0.584011D+00 -0.135562D+02 -0.748392D+00 -0.152480D+02  0.153161D+02
      6   0.114191D+00  0.149749D+01 -0.335244D+00  0.441188D+01 -0.563081D+01
                61            62            63            64            65 
      1  -0.151262D+02  0.697494D+00 -0.384516D+01 -0.871875D+02  0.292873D+02
      2  -0.174007D+01  0.742990D+01  0.681329D+01  0.472834D+02 -0.131694D+02
      3   0.168663D+02 -0.812739D+01 -0.296813D+01  0.399041D+02 -0.161179D+02
      4  -0.605181D+00 -0.202585D+02  0.273067D+02  0.285661D+02  0.258871D+02
      5  -0.249392D+02  0.239131D+02  0.347863D+02  0.229997D+02 -0.266377D+01
      6   0.116497D+02 -0.571525D+01 -0.107447D+02  0.990196D+00 -0.309071D+01
                66            67            68            69            70 
      1   0.229779D+02  0.612391D+02  0.254279D+02 -0.767608D+01  0.333160D+02
      2  -0.132002D+02 -0.280840D+02 -0.124430D+02  0.847190D+01 -0.133257D+02
      3  -0.977777D+01 -0.331551D+02 -0.129850D+02 -0.795814D+00 -0.199903D+02
      4  -0.161662D+01  0.311185D+02  0.954351D+01  0.236680D+02  0.306940D+01
      5   0.939162D+01 -0.133444D+01  0.251605D+02 -0.242440D+02  0.308920D+00
      6   0.217211D+01  0.178994D+01  0.704141D+01 -0.559562D+01 -0.315245D+01
                71            72            73            74            75 
      1  -0.376721D+01  0.526450D+01  0.385932D+02 -0.225364D+02 -0.181152D+02
      2   0.827063D+01 -0.195869D+01 -0.207414D+02  0.451789D+01  0.103151D+02
      3  -0.450342D+01 -0.330581D+01 -0.178518D+02  0.180185D+02  0.780011D+01
      4   0.225362D+02 -0.190179D+02 -0.208940D+02 -0.318518D+02 -0.548793D+01
      5  -0.196774D+02 -0.333903D+02 -0.981481D+01 -0.764207D+01 -0.182118D+02
      6  -0.657745D+01 -0.546106D+01 -0.145723D+02 -0.901610D+01 -0.658359D+00
                76            77            78            79            80 
      1  -0.288890D+02 -0.268852D+02 -0.135006D+01 -0.202528D+02  0.115630D+01
      2   0.557568D+01  0.175114D+02 -0.129383D+02  0.102476D+02 -0.124748D+02
      3   0.233134D+02  0.937380D+01  0.142884D+02  0.100053D+02  0.113185D+02
      4  -0.404795D+02 -0.135475D+02 -0.361864D+02 -0.148286D+01 -0.253064D+02
      5  -0.798454D+01 -0.427956D+02  0.244925D+02 -0.105018D+02  0.213799D+02
      6  -0.145468D+02 -0.640680D+01 -0.936736D+01  0.203819D+01 -0.779535D+01
                81            82            83            84            85 
      1  -0.117667D+02  0.369323D+02 -0.211195D+02 -0.119398D+02 -0.305411D+02
      2   0.753761D+00 -0.357976D+02 -0.458578D+00  0.572085D+01  0.815120D+00
      3   0.110130D+02 -0.113474D+01  0.215781D+02  0.621897D+01  0.297260D+02
      4   0.186141D+02 -0.177769D+02 -0.390857D+02 -0.113778D+00 -0.414344D+02
      5   0.144408D+02 -0.145498D+02  0.613417D+01 -0.595638D+01  0.434375D+01
      6   0.142514D+02  0.123860D+01  0.457587D+01 -0.333331D+01  0.338579D+01
                86            87            88            89            90 
      1  -0.283733D+02  0.926415D+01 -0.136315D+02  0.314365D+01 -0.938922D+00
      2   0.719894D+00 -0.619671D+01  0.870301D+00 -0.696519D+01  0.242002D+02
      3   0.276535D+02 -0.306743D+01  0.127612D+02  0.382153D+01 -0.232612D+02
      4  -0.321802D+02 -0.148715D+02 -0.102243D+02 -0.226452D+02  0.120885D+02
      5  -0.126444D+02  0.233787D+02 -0.412886D+01  0.155390D+02  0.474190D+02
      6  -0.656639D+01  0.117717D+02 -0.135775D+01  0.110162D+02  0.952358D+01
                91            92            93            94            95 
      1   0.445762D+01 -0.340820D+01 -0.696870D+01 -0.746775D+01 -0.159912D+02
      2  -0.477008D+01 -0.116946D+01  0.128786D+01  0.789000D+01  0.757974D+01
      3   0.312456D+00  0.457767D+01  0.568084D+01 -0.422252D+00  0.841148D+01
      4  -0.159407D+02 -0.156625D+02 -0.493858D+01 -0.355333D+02  0.176256D+02
      5  -0.181118D+02 -0.319832D+01 -0.110275D+02 -0.109716D+02 -0.647725D+01
      6  -0.697874D+00 -0.612628D+01 -0.675146D+01 -0.213169D+01  0.200021D+01
                96            97            98            99           100 
      1  -0.733891D+01 -0.193837D+02 -0.802800D+01 -0.512640D+01  0.816845D+01
      2   0.342527D+01  0.403304D+01 -0.125256D+01  0.666291D+01 -0.297238D+01
      3   0.391365D+01  0.153507D+02  0.928057D+01 -0.153651D+01 -0.519607D+01
      4  -0.637529D+01 -0.194992D+02 -0.708966D+01 -0.215964D+02  0.934514D+01
      5  -0.193585D+02 -0.198280D+02 -0.204214D+02  0.205529D+02  0.115678D+02
      6  -0.310237D+01 -0.968958D+01 -0.498016D+01  0.726647D+01 -0.567703D+01
               101           102           103           104           105 
      1   0.269317D+01  0.430515D+01  0.141903D+02  0.587271D+01  0.166707D+01
      2  -0.615989D+00 -0.285565D+01 -0.130235D+02 -0.501162D+00  0.348284D+01
      3  -0.207718D+01 -0.144950D+01 -0.116684D+01 -0.537154D+01 -0.514991D+01
      4   0.164521D+01 -0.397997D+01 -0.205540D+01 -0.109343D+02  0.974633D+01
      5  -0.524437D+01 -0.335601D+01 -0.122661D+02  0.118735D+02  0.327575D+02
      6   0.390902D+01  0.707164D+01  0.568446D+01 -0.116108D+02 -0.195376D+02
               106           107           108           109           110 
      1   0.146354D+02  0.534554D+00  0.461733D+00  0.174113D+02 -0.139297D+02
      2  -0.119916D+01 -0.909983D+01  0.247854D+01 -0.105388D+02  0.655659D+01
      3  -0.134362D+02  0.856527D+01 -0.294027D+01 -0.687252D+01  0.737311D+01
      4  -0.117581D+02  0.256615D+02  0.251552D+02 -0.192058D+02  0.167982D+02
      5  -0.210731D+02  0.260769D+02  0.176539D+02 -0.278520D+02  0.928390D+01
      6   0.135618D+02 -0.225498D+02 -0.126053D+02  0.115696D+02 -0.292813D+01
               111           112           113           114           115 
      1  -0.210288D+02 -0.132446D+02 -0.852223D+01 -0.694086D+01 -0.256783D+02
      2   0.134880D+02  0.367443D+01  0.175871D+02  0.459571D+01  0.153069D+02
      3   0.754079D+01  0.957013D+01 -0.906487D+01  0.234515D+01  0.103714D+02
      4   0.121012D+02  0.272886D+02 -0.335339D+02 -0.239314D+02  0.242918D+02
      5   0.207401D+02  0.181300D+02 -0.261776D+02 -0.285717D+02  0.358507D+02
      6  -0.503869D+01 -0.825764D+01  0.249871D+02  0.268933D+02 -0.143712D+02
               116           117           118           119           120 
      1  -0.578455D+01 -0.637330D+01  0.618347D+01 -0.316170D+01  0.119274D+02
      2   0.758834D+01 -0.139678D+02 -0.675490D+01  0.787579D+01 -0.786413D+01
      3  -0.180379D+01  0.203411D+02  0.571428D+00 -0.471409D+01 -0.406331D+01
      4  -0.324500D+02 -0.262899D+02  0.189228D+01 -0.741081D+01 -0.354159D+01
      5  -0.292917D+02 -0.651096D+02  0.104783D+02  0.108990D+01  0.742374D+01
      6   0.280439D+02  0.366373D+02 -0.385767D+01 -0.173163D+01 -0.155124D+01
               121           122           123           124           125 
      1   0.127780D+01 -0.392474D+01  0.300550D+01  0.169069D+02  0.122478D+01
      2   0.990243D+01 -0.180336D+02 -0.138982D+00 -0.931046D+01 -0.225932D+01
      3  -0.111802D+02  0.219583D+02 -0.286652D+01 -0.759643D+01  0.103454D+01
      4  -0.182176D+02  0.464753D+02  0.578148D+00 -0.965217D+01  0.102914D+02
      5   0.156543D+01  0.190398D-01 -0.204894D+01  0.168715D+02 -0.109910D+02
      6  -0.398802D+01  0.370016D+01  0.700012D+01 -0.460945D+01  0.133585D+02
               126           127           128           129           130 
      1  -0.156239D+01  0.265414D+01  0.241089D+01 -0.137879D+01 -0.241746D+00
      2  -0.708845D+01 -0.244266D+01 -0.267221D+01 -0.167869D+01  0.889581D+00
      3   0.865083D+01 -0.211482D+00  0.261321D+00  0.305748D+01 -0.647834D+00
      4  -0.102786D+02 -0.991538D+01  0.755764D+01 -0.789670D+01  0.524555D+01
      5   0.301137D+02  0.152510D+02 -0.545605D+01  0.138286D+02 -0.771077D+01
      6  -0.173138D+02 -0.842819D+01  0.588473D+01 -0.856596D+01  0.548994D+01
               131           132           133           134           135 
      1  -0.350902D+01  0.464095D+01 -0.388824D+01  0.772336D+01 -0.140947D+02
      2   0.177370D+01  0.109757D+00 -0.185327D+01 -0.411349D+01 -0.203219D+01
      3   0.173532D+01 -0.475071D+01  0.574151D+01 -0.360987D+01  0.161269D+02
      4  -0.549392D+01  0.569024D+01 -0.842927D+01  0.750072D+01 -0.104457D+02
      5   0.491535D+01 -0.825354D+01  0.150649D+02 -0.762449D+01  0.202074D+02
      6  -0.609366D+01  0.853456D+01 -0.103983D+02  0.119062D+02 -0.185524D+02
               136           137           138           139           140 
      1  -0.274463D+01 -0.177749D+01  0.556285D+01 -0.214626D+01 -0.407086D+01
      2  -0.265598D+01  0.312731D+00  0.282349D+01 -0.532422D+00  0.775139D+00
      3   0.540062D+01  0.146476D+01 -0.838634D+01  0.267868D+01  0.329572D+01
      4   0.520477D+01  0.366352D+01 -0.534911D+01  0.201814D+01  0.151306D+01
      5  -0.865055D+01 -0.324567D+01  0.112394D+02 -0.303290D+01 -0.219627D+01
      6  -0.589973D+01 -0.347782D+01  0.643731D+01 -0.273535D+01 -0.463028D+01
               141           142           143           144           145 
      1   0.775569D+01  0.723978D+01  0.103418D+02 -0.279921D+02  0.642257D+01
      2   0.696678D+00  0.199309D+01 -0.302786D+01 -0.528436D+01 -0.578913D+01
      3  -0.845237D+01 -0.923287D+01 -0.731397D+01  0.332765D+02 -0.633438D+00
      4  -0.258767D+01 -0.569339D+01 -0.510573D+01  0.781120D+01 -0.527662D+01
      5   0.344506D+01  0.103430D+02  0.481987D+01 -0.160248D+02  0.118443D+02
      6   0.812078D+01  0.848177D+01  0.126461D+02 -0.233243D+02 -0.102548D+01
               146           147           148           149           150 
      1  -0.174187D+01 -0.157086D+01 -0.211831D+01  0.358038D+00  0.508502D+01
      2   0.922030D+00 -0.472439D+01  0.207266D+01 -0.422267D+00  0.286199D+01
      3   0.819839D+00  0.629525D+01  0.456486D-01  0.642288D-01 -0.794701D+01
      4   0.612937D+01 -0.483562D+00  0.595022D+01 -0.504003D+01  0.678780D+00
      5  -0.295739D+01  0.100958D+02 -0.468350D+01  0.315361D+01 -0.624639D+01
      6   0.203906D+01 -0.809701D+00  0.116039D+01 -0.297032D+01  0.182392D+01
               151           152           153           154           155 
      1  -0.405805D+01  0.463994D+01 -0.128906D+02  0.265744D+00  0.720368D+00
      2  -0.624880D+01  0.137485D+01 -0.945069D+01 -0.557123D+01 -0.144299D+01
      3   0.103068D+02 -0.601479D+01  0.223413D+02  0.530549D+01  0.722621D+00
      4   0.377157D+00  0.177578D+01 -0.172491D+01  0.127826D+01  0.264044D+01
      5   0.125935D+02 -0.392975D+01  0.157763D+02 -0.953567D+01 -0.216591D+01
      6  -0.119902D+01  0.453271D+01 -0.302242D+01  0.820611D+00 -0.153450D+01
               156           157           158           159           160 
      1   0.282482D+01 -0.174499D+01 -0.241082D+01  0.647213D+01  0.355800D+01
      2   0.580484D+01 -0.526872D+00 -0.595775D+00  0.292360D+01  0.738257D+01
      3  -0.862966D+01  0.227186D+01  0.300660D+01 -0.939574D+01 -0.109406D+02
      4  -0.372081D+00  0.156991D+01  0.110102D+01 -0.133834D+01 -0.178217D+01
      5   0.119427D+02 -0.215354D+01 -0.247812D+01  0.346330D+01  0.128264D+02
      6  -0.161656D+01 -0.105851D+01 -0.234582D+01  0.127345D+01  0.404966D-01
               161           162           163           164           165 
      1   0.333568D+01 -0.218850D+02  0.945673D+01 -0.265270D+01 -0.839189D+01
      2   0.223400D+01 -0.160258D+02 -0.754033D+01  0.821303D+00  0.607055D+01
      3  -0.556969D+01  0.379108D+02 -0.191640D+01  0.183140D+01  0.232134D+01
      4  -0.329684D+01  0.182691D+01 -0.632172D+01  0.102307D+02  0.673385D+01
      5   0.385215D+01 -0.206078D+02 -0.152078D+02  0.497236D+01  0.158087D+02
      6   0.499323D+01  0.528016D-01  0.453039D+01 -0.188550D+01 -0.316381D+01
               166           167           168           169           170 
      1   0.375631D+01  0.120091D+01 -0.248389D+01 -0.163756D+02 -0.387608D+01
      2  -0.303842D+01  0.839757D+00  0.122295D+01  0.136203D+02  0.774911D+00
      3  -0.717885D+00 -0.204066D+01  0.126094D+01  0.275526D+01  0.310117D+01
      4   0.120190D+02 -0.987662D+01 -0.895238D+01  0.131942D+02 -0.152453D+02
      5   0.487576D+01 -0.890959D+01 -0.950553D+01  0.276875D+02 -0.189062D+02
      6  -0.327499D+01  0.628290D+01  0.928512D+01 -0.943699D+01  0.119817D+02
               171           172           173           174           175 
      1  -0.285267D+01  0.196329D+02 -0.983303D+01  0.631909D+01 -0.110216D+02
      2  -0.111133D+02 -0.412001D+01 -0.208647D+00 -0.177810D+01 -0.333118D+01
      3   0.139660D+02 -0.155129D+02  0.100417D+02 -0.454099D+01  0.143528D+02
      4  -0.221971D+02 -0.215942D+02  0.247555D+02 -0.587765D+01  0.318878D+02
      5  -0.478864D+02  0.905955D+01 -0.389260D+01  0.781488D+01 -0.515633D+01
      6   0.187131D+02 -0.307668D+01  0.647347D+00 -0.183091D+01  0.232116D+01
               176           177           178           179           180 
      1   0.390221D+01 -0.478183D+00  0.182529D+02 -0.771910D+00  0.258118D+01
      2   0.166224D+02 -0.423207D+01 -0.482450D+01 -0.669793D+01  0.467626D-01
      3  -0.205247D+02  0.471025D+01 -0.134284D+02  0.746984D+01 -0.262795D+01
      4  -0.439692D+02  0.119380D+02 -0.154315D+02  0.233940D+02 -0.140356D+02
      5   0.108579D+02 -0.896118D+01  0.108456D+02 -0.122946D+02  0.815601D+01
      6  -0.468791D+01  0.564471D+01 -0.456146D+01  0.633641D+01 -0.419937D+01
               181           182           183           184           185 
      1   0.140473D+03 -0.169787D+02 -0.159318D+02 -0.260891D+02  0.133663D+02
      2  -0.713281D+02  0.887044D+01  0.782842D+01  0.129330D+02 -0.487465D+01
      3  -0.691448D+02  0.810822D+01  0.810333D+01  0.131561D+02 -0.849167D+01
      4  -0.128109D+02  0.136765D+02  0.153660D+01  0.168954D+02 -0.852494D+01
      5  -0.183248D+02  0.217317D+01  0.164204D+02  0.222466D+01 -0.584165D+01
      6   0.661454D+00 -0.106965D+01  0.139902D+01 -0.124785D+01 -0.107345D+00
               186           187           188           189           190 
      1   0.280947D+01 -0.190017D+02  0.199281D+01  0.156860D+02 -0.478798D+02
      2  -0.200292D+01  0.107008D+02 -0.192673D+01 -0.976333D+01  0.236495D+02
      3  -0.806547D+00  0.830093D+01 -0.660860D-01 -0.592265D+01  0.242303D+02
      4  -0.542723D+01  0.449964D+00 -0.521030D+01 -0.220466D-01 -0.581164D+01
      5  -0.500710D+00  0.223320D+02 -0.305819D+00 -0.424565D+01 -0.115591D+02
      6   0.247504D+01  0.101654D+00  0.267208D+01  0.733302D+00  0.530941D+01
               191           192           193           194           195 
      1   0.876268D+01  0.127532D+02  0.609123D+01 -0.839276D+01 -0.580079D+01
      2  -0.530965D+01 -0.177553D+01 -0.297705D+01  0.511224D+01  0.370440D+01
      3  -0.345303D+01 -0.109777D+02 -0.311417D+01  0.328052D+01  0.209639D+01
      4  -0.356237D+01 -0.157605D+01  0.725884D+00  0.265665D+01  0.492169D+01
      5  -0.176083D+01 -0.756506D+01 -0.310187D+00  0.394136D+01 -0.246582D-01
      6  -0.565492D+01 -0.662387D+01 -0.255262D+01  0.374963D+01  0.474518D+01
               196           197           198           199           200 
      1   0.853077D+01 -0.359585D+01 -0.891660D+01  0.316817D+02  0.197728D+02
      2  -0.164380D+01  0.201043D+01  0.635909D+00 -0.135262D+02 -0.480221D+01
      3  -0.688698D+01  0.158543D+01  0.828069D+01 -0.181555D+02 -0.149706D+02
      4  -0.170374D+00  0.319657D+01 -0.156433D+01  0.322999D+02  0.311162D+02
      5   0.154217D+01 -0.161184D+01  0.298531D+01  0.255441D+02  0.163065D+02
      6  -0.357512D+01  0.382527D+01  0.189642D+01  0.119142D+02  0.114058D+02
               201           202           203           204           205 
      1   0.123222D+02  0.249700D+02  0.147147D+02  0.580890D+01  0.712684D+01
      2  -0.872962D+01 -0.654919D+01  0.311902D+01 -0.301950D+01 -0.595235D+01
      3  -0.359256D+01 -0.184208D+02 -0.178337D+02 -0.278940D+01 -0.117449D+01
      4   0.131257D+02  0.389996D+02  0.474698D+02  0.229331D+02  0.935828D+01
      5   0.210242D+02  0.238794D+02  0.268152D+02  0.210386D+02  0.172188D+02
      6   0.786344D+01  0.148198D+02  0.203861D+02  0.146655D+02  0.687998D+01
               206           207           208           209           210 
      1   0.179323D+01  0.613152D+01  0.100889D+02 -0.601031D+01  0.115188D+02
      2  -0.157999D+01 -0.536065D+01 -0.860605D+01  0.563949D+01 -0.105787D+02
      3  -0.213242D+00 -0.770870D+00 -0.148281D+01  0.370825D+00 -0.940049D+00
      4   0.119218D+02  0.111146D+02 -0.660006D+01  0.124211D+02 -0.557433D+01
      5   0.116241D+02  0.137658D+02  0.162170D+02 -0.785081D+01  0.180608D+02
      6   0.101391D+02  0.720321D+01 -0.135703D+01  0.425577D+01 -0.170433D+01
               211           212           213           214           215 
      1  -0.118829D+02  0.638108D+01 -0.385048D+01  0.106639D+02 -0.156200D+01
      2   0.109125D+02 -0.874075D+01  0.147616D+02 -0.113725D+02  0.990454D+01
      3   0.970328D+00  0.235967D+01 -0.109111D+02  0.708600D+00 -0.834254D+01
      4   0.130941D+02 -0.259550D+02  0.210852D+02 -0.547363D+01  0.161086D+02
      5  -0.160613D+02  0.239894D+02 -0.328784D+02  0.191200D+02 -0.187464D+02
      6   0.495609D+01 -0.118811D+02  0.914227D+01 -0.222584D+01  0.956403D+01
               216           217           218           219           220 
      1   0.218697D+01  0.136831D+01  0.203904D+01 -0.798891D+01 -0.135492D+01
      2  -0.185021D+02 -0.271862D+01  0.449986D+00  0.673146D+01  0.274655D+01
      3   0.163151D+02  0.135031D+01 -0.248902D+01  0.125745D+01 -0.139163D+01
      4  -0.168984D+02  0.293183D+01  0.652780D+01 -0.249126D+01  0.428189D+01
      5   0.351913D+02 -0.102767D+02 -0.106213D+01  0.139686D+02  0.162922D+01
      6  -0.733249D+01 -0.241265D+01 -0.135167D+01  0.199233D+01 -0.732252D+00
               221           222           223           224           225 
      1   0.586290D+00 -0.628348D-01 -0.905015D+01  0.190640D+01 -0.112487D+02
      2  -0.143392D+01 -0.508603D+01  0.900339D+01 -0.428392D+01 -0.252972D+02
      3   0.847632D+00  0.514887D+01  0.467633D-01  0.237752D+01  0.365459D+02
      4  -0.269562D+00 -0.439188D+01 -0.514549D+01 -0.891118D+01  0.321509D+01
      5  -0.529299D+01 -0.114048D+02  0.175128D+02  0.233499D+01 -0.669117D+02
      6   0.363553D+00  0.269540D+01  0.440091D+01  0.738012D+01 -0.230666D+02
               226           227           228           229           230 
      1   0.247606D+02  0.184525D+02  0.164103D+01  0.187509D+02  0.100168D+02
      2  -0.106273D+00  0.589108D+01  0.277978D+00  0.732073D+01  0.265926D+02
      3  -0.246543D+02 -0.243436D+02 -0.191900D+01 -0.260716D+02 -0.366093D+02
      4   0.377899D+02  0.423574D+02 -0.157210D+01  0.454387D+02  0.660803D+02
      5  -0.377312D+01 -0.525175D+01  0.944367D+01 -0.589058D+01 -0.500950D+01
      6  -0.317339D+01 -0.482347D+01  0.534391D+01 -0.497249D+01 -0.849400D+01
               231           232           233           234           235 
      1  -0.393850D+00  0.662199D+01  0.187833D+01  0.324626D+01 -0.390474D+02
      2   0.975187D+00  0.338854D+00  0.485679D+01 -0.140636D+01  0.273505D+02
      3  -0.581337D+00 -0.696084D+01 -0.673512D+01 -0.183989D+01  0.116969D+02
      4  -0.175254D+01  0.803888D+01  0.129279D+02  0.670875D+01 -0.926656D+01
      5   0.714836D+01  0.694060D+01  0.527133D+01 -0.141004D+01  0.103327D+02
      6   0.648315D+01  0.392069D+01  0.441437D+01  0.381295D+00 -0.605549D+00
               236           237           238           239           240 
      1   0.159622D+02  0.690578D+00  0.165799D+02 -0.603793D+01 -0.717085D+00
      2  -0.145420D+02 -0.154370D+01 -0.966397D+01  0.107537D+02  0.552239D+00
      3  -0.142013D+01  0.853123D+00 -0.691596D+01 -0.471580D+01  0.164846D+00
      4  -0.191081D+01  0.265688D+01  0.102319D+02  0.874648D+01 -0.483567D+00
      5  -0.285491D+00 -0.577499D+01 -0.441371D+01  0.683079D+00  0.101144D+00
      6   0.300198D+01 -0.474787D+01 -0.487397D-01 -0.224624D+01  0.129108D+01
               241           242           243           244           245 
      1   0.474740D+01 -0.323890D+01 -0.511875D+01  0.243751D+01  0.379743D+01
      2  -0.309431D+01  0.383821D+01  0.161585D-02 -0.386181D+01 -0.201629D+01
      3  -0.165309D+01 -0.599315D+00  0.511714D+01  0.142430D+01 -0.178114D+01
      4   0.564375D+00  0.319917D+01 -0.129924D+01  0.615750D+01  0.666908D+01
      5  -0.884380D+00 -0.172320D-01 -0.322497D+01 -0.102228D+02 -0.243153D+01
      6  -0.222987D+01  0.128103D+01 -0.611100D+00 -0.413860D+01 -0.512158D+00
               246           247           248           249           250 
      1  -0.577763D+01  0.455446D+01 -0.240689D+00  0.198409D+01 -0.800911D+01
      2   0.437871D+01 -0.218144D+01  0.119986D+01 -0.138057D+01  0.745607D+01
      3   0.139892D+01 -0.237303D+01 -0.959169D+00 -0.603528D+00  0.553040D+00
      4  -0.329506D+01  0.999236D+01  0.615951D+01 -0.703389D+01 -0.581565D+01
      5   0.116141D+02 -0.338828D+01 -0.722906D+01  0.104145D+02  0.158683D+02
      6   0.240876D+01 -0.197527D+01 -0.575403D+01  0.780651D+01  0.409608D+01
               251           252           253           254           255 
      1   0.213258D+01 -0.441080D+01 -0.798922D+02 -0.387903D+01  0.829406D+01
      2   0.767116D+00 -0.955750D+01  0.405929D+02  0.931056D+01 -0.576307D+01
      3  -0.289969D+01  0.139683D+02  0.392994D+02 -0.543153D+01 -0.253098D+01
      4  -0.103867D+02  0.104692D+02 -0.780531D+01  0.247828D+02  0.109079D+02
      5   0.921060D+01 -0.341849D+02  0.125216D+02  0.807788D+01  0.145058D+02
      6   0.741229D+01 -0.123542D+02  0.908070D+01  0.593405D+01  0.518152D+01
               256           257           258           259           260 
      1   0.157741D+02  0.339783D+02  0.298084D+01  0.289114D+02  0.336630D+01
      2  -0.467362D+01 -0.378072D+02 -0.679636D+01 -0.126321D+02 -0.289934D+01
      3  -0.111005D+02  0.382890D+01  0.381553D+01 -0.162793D+02 -0.466959D+00
      4   0.272229D+02 -0.274339D+02  0.557296D+01  0.204838D+02  0.146675D+02
      5   0.121486D+02  0.817262D+01  0.176959D+02  0.205150D+02  0.194146D+02
      6   0.641239D+01 -0.391789D+01  0.601613D+01  0.866995D+01  0.817701D+01
               261           262           263           264           265 
      1   0.152393D+02  0.671509D+01 -0.828034D+01  0.251655D+01 -0.690810D+01
      2   0.556633D+01  0.182086D+01 -0.957212D+00 -0.145367D+00 -0.844529D+01
      3  -0.208056D+02 -0.853595D+01  0.923755D+01 -0.237119D+01  0.153534D+02
      4   0.227117D+02 -0.140061D+02  0.175050D+02 -0.387329D+01  0.287278D+02
      5  -0.181660D+02  0.498832D+01 -0.417135D+01  0.358640D+01 -0.764300D+01
      6  -0.278938D+01 -0.324098D+01  0.296254D+01 -0.143591D+01  0.597781D+01
               266           267           268           269           270 
      1  -0.534773D+01  0.680149D+00  0.534373D+00  0.971772D+00 -0.741630D+00
      2   0.344665D+02 -0.579580D+01 -0.203659D+01  0.354013D+01  0.146491D+01
      3  -0.291188D+02  0.511565D+01  0.150221D+01 -0.451190D+01 -0.723285D+00
      4  -0.615993D+02  0.128607D+02  0.167156D+01 -0.362955D+01 -0.423896D+01
      5   0.139210D+02 -0.108574D+02  0.305202D+01 -0.431711D+01  0.438537D+01
      6  -0.145316D+02  0.803253D+01 -0.186270D+01  0.470326D+01 -0.299894D+01
               271           272           273           274           275 
      1   0.511981D+01 -0.557976D+00  0.497812D+01 -0.720382D+01 -0.564952D+01
      2  -0.523025D+01 -0.703749D+00 -0.177864D+01  0.372665D+01  0.296166D+01
      3   0.110442D+00  0.126172D+01 -0.319948D+01  0.347718D+01  0.268785D+01
      4  -0.174479D+01 -0.328062D+01 -0.443517D+00 -0.309080D+01 -0.182120D+01
      5   0.246168D+01 -0.172148D+01 -0.274711D+00 -0.441415D+01  0.329173D+01
      6  -0.657567D+00 -0.154719D+01 -0.117785D+01 -0.862885D+00 -0.249155D+00
               276           277           278           279           280 
      1  -0.268563D+00  0.110188D+02 -0.782099D-01 -0.113139D+02  0.127691D+03
      2   0.472920D+01 -0.722341D+01  0.433875D+01 -0.155386D+02 -0.609322D+02
      3  -0.446064D+01 -0.379539D+01 -0.426054D+01  0.268525D+02 -0.667585D+02
      4   0.358523D+01  0.483411D+01  0.916044D+01 -0.343419D+01  0.395205D+02
      5  -0.940745D+01  0.103098D+02 -0.253516D+01  0.428185D+02  0.976120D+01
      6   0.938053D+00  0.155610D+01  0.371198D+01  0.122304D+02 -0.654942D+00
               281           282           283           284           285 
      1   0.884345D+01 -0.141839D+01 -0.714660D+01  0.655791D+01 -0.266047D+00
      2  -0.869368D+00 -0.234250D+00  0.600103D+01 -0.173822D+00  0.579083D+00
      3  -0.797409D+01  0.165264D+01  0.114557D+01 -0.638409D+01 -0.313036D+00
      4   0.175379D+02  0.832735D+00  0.116392D+02  0.537524D+01 -0.105250D+01
      5   0.141377D+01  0.132359D+02 -0.134502D+01 -0.752925D+00 -0.227452D+01
      6   0.176749D+01  0.361335D+01  0.499393D+00  0.461800D+00  0.187854D+00
               286           287           288           289           290 
      1  -0.168553D+02 -0.157244D+01  0.851249D+01  0.185220D+01  0.122260D+02
      2   0.704168D+01 -0.104695D+00 -0.637414D+01  0.188993D+01 -0.123062D+02
      3   0.981358D+01  0.167714D+01 -0.213834D+01 -0.374213D+01  0.802303D-01
      4  -0.679490D+01 -0.443544D+01  0.109823D+01  0.386773D+01 -0.576864D+01
      5   0.117421D+02 -0.623688D+00 -0.685624D+00 -0.167827D+01 -0.491884D+00
      6   0.299755D+01  0.633212D+00 -0.506464D+00 -0.172219D+00 -0.246174D+01
               291           292           293           294           295 
      1   0.122551D+00  0.112804D+02 -0.301452D+02 -0.271501D+01 -0.398264D+01
      2  -0.134622D+00 -0.351591D+01  0.520722D+02  0.283188D+01  0.102826D+01
      3   0.120717D-01 -0.776445D+01 -0.219270D+02 -0.116875D+00  0.295438D+01
      4  -0.197422D+01  0.121979D+02  0.591411D+02  0.600709D+01 -0.309323D+01
      5  -0.247028D+01  0.306743D+01  0.356160D+01  0.723785D+01  0.794682D-01
      6  -0.220806D+01  0.692152D+00  0.114036D+02  0.765641D+01 -0.223283D+00
               296           297 
      1  -0.776874D+00 -0.525463D+01
      2  -0.164424D+01  0.369822D+01
      3   0.242112D+01  0.155640D+01
      4  -0.401603D+01  0.348308D+01
      5   0.430263D+01  0.221025D+01
      6   0.642494D+01  0.119706D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:08:21 2021, MaxMem=  6442450944 cpu:          121903.5 elap:           15258.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32460 -19.26513 -10.43566 -10.32343 -10.31254
 Alpha  occ. eigenvalues --  -10.30645 -10.30122 -10.30097 -10.30020 -10.29895
 Alpha  occ. eigenvalues --  -10.29868 -10.29762 -10.29454 -10.28023 -10.27977
 Alpha  occ. eigenvalues --   -1.22113  -1.12878  -0.97492  -0.92776  -0.90111
 Alpha  occ. eigenvalues --   -0.85167  -0.84690  -0.78531  -0.78180  -0.76513
 Alpha  occ. eigenvalues --   -0.71855  -0.70291  -0.67572  -0.65068  -0.60319
 Alpha  occ. eigenvalues --   -0.58804  -0.57296  -0.56572  -0.55555  -0.54615
 Alpha  occ. eigenvalues --   -0.53650  -0.52002  -0.51679  -0.51081  -0.50540
 Alpha  occ. eigenvalues --   -0.50026  -0.47565  -0.46818  -0.46495  -0.45623
 Alpha  occ. eigenvalues --   -0.45408  -0.44197  -0.43183  -0.41738  -0.41379
 Alpha  occ. eigenvalues --   -0.41267  -0.40894  -0.39564  -0.36782  -0.33326
 Alpha  occ. eigenvalues --   -0.31583
 Alpha virt. eigenvalues --    0.03259   0.03447   0.04184   0.04433   0.04967
 Alpha virt. eigenvalues --    0.05140   0.05171   0.05276   0.05723   0.06396
 Alpha virt. eigenvalues --    0.06857   0.06999   0.07517   0.07717   0.08302
 Alpha virt. eigenvalues --    0.08643   0.09257   0.09460   0.09675   0.10209
 Alpha virt. eigenvalues --    0.10913   0.11208   0.11799   0.12398   0.12502
 Alpha virt. eigenvalues --    0.12692   0.13294   0.13961   0.14315   0.14669
 Alpha virt. eigenvalues --    0.14762   0.14998   0.15364   0.15510   0.15938
 Alpha virt. eigenvalues --    0.16286   0.16623   0.16832   0.17215   0.17302
 Alpha virt. eigenvalues --    0.17603   0.18190   0.18509   0.18631   0.19129
 Alpha virt. eigenvalues --    0.19245   0.19947   0.20362   0.20906   0.20941
 Alpha virt. eigenvalues --    0.21267   0.21533   0.21876   0.22321   0.22387
 Alpha virt. eigenvalues --    0.22765   0.23014   0.23103   0.23871   0.24166
 Alpha virt. eigenvalues --    0.24745   0.24911   0.25333   0.25566   0.26477
 Alpha virt. eigenvalues --    0.26911   0.27133   0.27387   0.28039   0.28150
 Alpha virt. eigenvalues --    0.28408   0.28719   0.29084   0.29592   0.29873
 Alpha virt. eigenvalues --    0.30481   0.30654   0.30961   0.31254   0.31378
 Alpha virt. eigenvalues --    0.32052   0.32219   0.32368   0.32994   0.33328
 Alpha virt. eigenvalues --    0.33822   0.34112   0.34452   0.34951   0.35326
 Alpha virt. eigenvalues --    0.35627   0.36089   0.36570   0.36919   0.37266
 Alpha virt. eigenvalues --    0.37452   0.37701   0.38361   0.38844   0.39639
 Alpha virt. eigenvalues --    0.39960   0.40573   0.41162   0.41271   0.41582
 Alpha virt. eigenvalues --    0.41931   0.42389   0.42820   0.43242   0.43845
 Alpha virt. eigenvalues --    0.44131   0.44314   0.44613   0.44914   0.45380
 Alpha virt. eigenvalues --    0.45781   0.46231   0.46526   0.47091   0.47443
 Alpha virt. eigenvalues --    0.47668   0.47971   0.48559   0.48945   0.49510
 Alpha virt. eigenvalues --    0.49717   0.50947   0.51244   0.51868   0.52463
 Alpha virt. eigenvalues --    0.52629   0.53030   0.53639   0.54121   0.54576
 Alpha virt. eigenvalues --    0.54713   0.54859   0.55656   0.56345   0.56642
 Alpha virt. eigenvalues --    0.56927   0.57323   0.57694   0.57978   0.58270
 Alpha virt. eigenvalues --    0.59097   0.59620   0.60208   0.60914   0.61301
 Alpha virt. eigenvalues --    0.62098   0.62465   0.62755   0.63188   0.63767
 Alpha virt. eigenvalues --    0.64146   0.65085   0.65390   0.65627   0.66147
 Alpha virt. eigenvalues --    0.66451   0.66871   0.67262   0.67335   0.67556
 Alpha virt. eigenvalues --    0.68101   0.68395   0.69207   0.69493   0.69666
 Alpha virt. eigenvalues --    0.70421   0.70893   0.71148   0.71426   0.71905
 Alpha virt. eigenvalues --    0.72424   0.72769   0.73221   0.73458   0.73957
 Alpha virt. eigenvalues --    0.74276   0.74608   0.74744   0.75413   0.75625
 Alpha virt. eigenvalues --    0.75803   0.76466   0.77106   0.77707   0.77879
 Alpha virt. eigenvalues --    0.78855   0.78983   0.79400   0.79926   0.80768
 Alpha virt. eigenvalues --    0.81494   0.82257   0.82563   0.82918   0.83272
 Alpha virt. eigenvalues --    0.83890   0.84232   0.84714   0.85450   0.86001
 Alpha virt. eigenvalues --    0.86410   0.86742   0.87049   0.87521   0.88148
 Alpha virt. eigenvalues --    0.88790   0.88966   0.89737   0.90294   0.91193
 Alpha virt. eigenvalues --    0.91233   0.92464   0.92686   0.93434   0.93855
 Alpha virt. eigenvalues --    0.94717   0.95115   0.95936   0.96753   0.97145
 Alpha virt. eigenvalues --    0.98258   0.98548   0.99829   1.00568   1.00755
 Alpha virt. eigenvalues --    1.01696   1.02697   1.02958   1.04223   1.05076
 Alpha virt. eigenvalues --    1.05298   1.06043   1.07684   1.08181   1.08401
 Alpha virt. eigenvalues --    1.09896   1.11410   1.11782   1.12406   1.13796
 Alpha virt. eigenvalues --    1.14446   1.15266   1.16417   1.16596   1.17743
 Alpha virt. eigenvalues --    1.18476   1.18552   1.19054   1.21292   1.21807
 Alpha virt. eigenvalues --    1.22446   1.23545   1.24268   1.25337   1.26328
 Alpha virt. eigenvalues --    1.26805   1.27243   1.28032   1.29207   1.30702
 Alpha virt. eigenvalues --    1.31510   1.32673   1.32953   1.35381   1.36430
 Alpha virt. eigenvalues --    1.37694   1.40764   1.41571   1.42325   1.43824
 Alpha virt. eigenvalues --    1.44126   1.45651   1.46808   1.47334   1.47959
 Alpha virt. eigenvalues --    1.48035   1.49577   1.50896   1.51380   1.53210
 Alpha virt. eigenvalues --    1.53968   1.54954   1.55297   1.56573   1.56800
 Alpha virt. eigenvalues --    1.58230   1.59082   1.60185   1.60761   1.61834
 Alpha virt. eigenvalues --    1.62457   1.63349   1.63885   1.64861   1.65860
 Alpha virt. eigenvalues --    1.66998   1.67859   1.68596   1.69047   1.69855
 Alpha virt. eigenvalues --    1.70247   1.72207   1.73320   1.73979   1.74344
 Alpha virt. eigenvalues --    1.76324   1.76930   1.78269   1.78409   1.79220
 Alpha virt. eigenvalues --    1.79606   1.80543   1.81333   1.81608   1.82683
 Alpha virt. eigenvalues --    1.82834   1.83749   1.85820   1.86775   1.87569
 Alpha virt. eigenvalues --    1.88486   1.89085   1.89529   1.90087   1.90596
 Alpha virt. eigenvalues --    1.91293   1.92102   1.93674   1.94554   1.94965
 Alpha virt. eigenvalues --    1.95982   1.97440   1.97574   1.98780   1.98946
 Alpha virt. eigenvalues --    1.99793   2.00117   2.00851   2.01381   2.02675
 Alpha virt. eigenvalues --    2.03202   2.03655   2.05428   2.06070   2.07293
 Alpha virt. eigenvalues --    2.07858   2.09143   2.09701   2.11138   2.11481
 Alpha virt. eigenvalues --    2.12549   2.14080   2.14621   2.15637   2.15920
 Alpha virt. eigenvalues --    2.16810   2.18694   2.19035   2.20625   2.20959
 Alpha virt. eigenvalues --    2.22173   2.23204   2.24123   2.24489   2.25749
 Alpha virt. eigenvalues --    2.26227   2.27502   2.28173   2.29073   2.29619
 Alpha virt. eigenvalues --    2.30502   2.31128   2.33223   2.35005   2.36469
 Alpha virt. eigenvalues --    2.37551   2.38124   2.38864   2.39303   2.39525
 Alpha virt. eigenvalues --    2.40175   2.40564   2.41014   2.41155   2.42728
 Alpha virt. eigenvalues --    2.43268   2.45678   2.46807   2.49736   2.52084
 Alpha virt. eigenvalues --    2.54832   2.55014   2.56759   2.56978   2.58667
 Alpha virt. eigenvalues --    2.59538   2.60998   2.62972   2.63194   2.63929
 Alpha virt. eigenvalues --    2.67691   2.69399   2.71230   2.72038   2.72844
 Alpha virt. eigenvalues --    2.75018   2.77293   2.78003   2.79007   2.80140
 Alpha virt. eigenvalues --    2.81155   2.83787   2.85762   2.88070   2.88866
 Alpha virt. eigenvalues --    2.89831   2.93563   2.97140   2.99106   3.00343
 Alpha virt. eigenvalues --    3.02108   3.03501   3.13453   3.16357   3.18196
 Alpha virt. eigenvalues --    3.19980   3.27794   3.29860   3.32640   3.42994
 Alpha virt. eigenvalues --    3.44991   3.47689   3.48656   3.54015   3.55541
 Alpha virt. eigenvalues --    3.56345   3.58344   3.62759   3.71440   3.76351
 Alpha virt. eigenvalues --    3.78582   3.81737   3.91823   4.02050   4.15831
 Alpha virt. eigenvalues --    4.88661
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   46.475318 -19.309219 -24.501217  11.859586 -13.476390   7.288476
     2  C  -19.309219  31.613407  12.905491 -13.261212  10.803232 -17.352226
     3  C  -24.501217  12.905491  49.047516 -18.835423   4.779104 -14.163595
     4  C   11.859586 -13.261212 -18.835423  34.542735 -15.174631   9.553130
     5  C  -13.476390  10.803232   4.779104 -15.174631  44.965682 -22.100587
     6  C    7.288476 -17.352226 -14.163595   9.553130 -22.100587  45.771528
     7  C   -2.692936  -0.103088   1.849538  -1.975313   1.660254  -3.102839
     8  C    0.509227  -0.175520  -0.203423   0.239951  -0.249905   0.427482
     9  C   -0.087751  -0.074307   0.055862  -0.075206   0.123717  -0.332011
    10  C   -0.296081   0.013216   0.150284  -0.113039  -0.031573  -0.158933
    11  C    1.693118  -1.735413  -2.688820  -4.506693  -2.693341   1.641489
    12  C   -0.023318  -0.071771  -0.239895   0.431906  -0.938577   0.114430
    13  O    0.001036   0.011742   0.034721   0.106500   0.012772  -0.032883
    14  O   -0.008161   0.017946   0.011823   0.148279   0.203843  -0.110111
    15  H   -4.764391   2.518608   1.776152  -1.229620   0.067455   0.288340
    16  H    1.946966  -1.415488  -5.262432   2.914644   0.430691   0.048017
    17  H   -0.168168  -0.857074   0.485849   1.592515  -4.641177   1.965102
    18  H    0.301851   2.432375   0.061294  -1.266887   1.898909  -4.880252
    19  H   -0.607870  -0.270047  -0.285117   0.113794   0.474405   0.828449
    20  H    0.892054  -0.418073   0.482561   0.075701  -0.289773  -0.629022
    21  H    0.023031  -0.041088  -0.011477   0.020769  -0.008556   0.035183
    22  H    0.054941   0.128218  -0.122770   0.036627   0.028151  -0.048917
    23  H   -0.116502  -0.015605   0.019581  -0.021779   0.007744   0.044646
    24  H    0.078919   0.026935   0.116741   0.000703   0.013710  -0.054039
    25  H   -0.061645  -0.033769   0.014321   0.006881   0.141694   0.110418
    26  H    0.042924   0.006540   0.005139  -0.021909   0.005481  -0.112021
    27  H   -0.049354   0.144644   0.041729   0.024576  -0.148249   0.049202
    28  H    0.067553   0.021673   0.085396   0.683090  -0.205756  -0.030057
    29  C    0.147162  -0.255462  -0.330984  -0.384761  -0.335363   0.236470
    30  H    0.007014  -0.005008  -0.020791  -0.058357  -0.004326   0.024993
    31  H    0.092945  -0.136800  -0.054432  -0.250624  -0.308432   0.148413
    32  H   -0.056628   0.081229  -0.062725   1.043730   0.080549  -0.079175
    33  H    0.068797  -0.065139   0.045176  -0.553772  -0.013432   0.073327
               7          8          9         10         11         12
     1  C   -2.692936   0.509227  -0.087751  -0.296081   1.693118  -0.023318
     2  C   -0.103088  -0.175520  -0.074307   0.013216  -1.735413  -0.071771
     3  C    1.849538  -0.203423   0.055862   0.150284  -2.688820  -0.239895
     4  C   -1.975313   0.239951  -0.075206  -0.113039  -4.506693   0.431906
     5  C    1.660254  -0.249905   0.123717  -0.031573  -2.693341  -0.938577
     6  C   -3.102839   0.427482  -0.332011  -0.158933   1.641489   0.114430
     7  C   11.075978  -1.054035   0.294810   0.308325  -0.446899  -0.013680
     8  C   -1.054035   8.262737  -0.279028  -0.298097   0.053492   0.001122
     9  C    0.294810  -0.279028   5.050820  -0.283494  -0.038200   0.003744
    10  C    0.308325  -0.298097  -0.283494   5.089298  -0.023676  -0.004432
    11  C   -0.446899   0.053492  -0.038200  -0.023676  17.381950  -1.539363
    12  C   -0.013680   0.001122   0.003744  -0.004432  -1.539363   7.246732
    13  O    0.001887  -0.000326  -0.000080   0.000420  -0.007150   0.086987
    14  O   -0.003043   0.000670   0.000117  -0.000848  -0.531175  -0.004073
    15  H   -0.047363  -0.014577   0.005539   0.017660   0.095696   0.003398
    16  H    0.073736  -0.017658   0.012582   0.003278   0.131799  -0.012213
    17  H    0.112218  -0.021295   0.002575   0.022130   0.024462   0.117810
    18  H    0.120025  -0.012685   0.024103   0.019257  -0.011231   0.012476
    19  H   -0.521655   0.122584   0.012616  -0.031741  -0.005405  -0.003351
    20  H   -0.432422   0.166598  -0.021802   0.017887  -0.012904   0.001502
    21  H    0.095473  -1.141576   0.123017   0.130005   0.002946   0.000182
    22  H   -0.193004  -0.063026   0.491719  -0.211638   0.009341   0.000602
    23  H    0.104125   0.022983   0.128854   0.099992  -0.004065   0.001028
    24  H   -0.186390   0.306744  -0.180866  -0.003438   0.001534  -0.000488
    25  H   -0.157178   0.291565  -0.003701  -0.194346  -0.003239   0.001274
    26  H    0.090230   0.032002   0.109658   0.115324  -0.000140  -0.000866
    27  H   -0.188846  -0.063881  -0.217146   0.518732   0.002424  -0.000991
    28  H   -0.016989   0.003682  -0.001562  -0.001463  -1.825303   0.176666
    29  C   -0.052034   0.002055  -0.002001  -0.001689   0.714585   0.060644
    30  H   -0.000242   0.000101   0.000056  -0.000130   0.178320  -0.168985
    31  H   -0.016472   0.001494  -0.000557  -0.000759   0.209913   0.027872
    32  H    0.003523  -0.000291   0.000078   0.000030  -0.810661  -0.038532
    33  H   -0.009234   0.000383  -0.000228  -0.000184   0.513341   0.002396
              13         14         15         16         17         18
     1  C    0.001036  -0.008161  -4.764391   1.946966  -0.168168   0.301851
     2  C    0.011742   0.017946   2.518608  -1.415488  -0.857074   2.432375
     3  C    0.034721   0.011823   1.776152  -5.262432   0.485849   0.061294
     4  C    0.106500   0.148279  -1.229620   2.914644   1.592515  -1.266887
     5  C    0.012772   0.203843   0.067455   0.430691  -4.641177   1.898909
     6  C   -0.032883  -0.110111   0.288340   0.048017   1.965102  -4.880252
     7  C    0.001887  -0.003043  -0.047363   0.073736   0.112218   0.120025
     8  C   -0.000326   0.000670  -0.014577  -0.017658  -0.021295  -0.012685
     9  C   -0.000080   0.000117   0.005539   0.012582   0.002575   0.024103
    10  C    0.000420  -0.000848   0.017660   0.003278   0.022130   0.019257
    11  C   -0.007150  -0.531175   0.095696   0.131799   0.024462  -0.011231
    12  C    0.086987  -0.004073   0.003398  -0.012213   0.117810   0.012476
    13  O    8.371776  -0.025351  -0.000732   0.001717  -0.009715  -0.000804
    14  O   -0.025351   8.431292  -0.000835   0.008821  -0.076982  -0.002128
    15  H   -0.000732  -0.000835   3.676731  -0.260744   0.014000  -0.054136
    16  H    0.001717   0.008821  -0.260744   3.587326  -0.050660   0.019790
    17  H   -0.009715  -0.076982   0.014000  -0.050660   4.021093  -0.336328
    18  H   -0.000804  -0.002128  -0.054136   0.019790  -0.336328   3.799818
    19  H    0.000192  -0.000143   0.032346  -0.004860  -0.000605  -0.067058
    20  H    0.000018   0.000004  -0.067649  -0.000784  -0.004612   0.033568
    21  H   -0.000014   0.000022   0.002333  -0.000723  -0.000744   0.001551
    22  H   -0.000325  -0.000132  -0.012064  -0.003936  -0.000154   0.014895
    23  H   -0.000077   0.000027   0.009037   0.000878  -0.000491   0.000085
    24  H    0.000049  -0.000000  -0.000758  -0.002037   0.000995  -0.003093
    25  H   -0.000027   0.000148  -0.003476   0.000952  -0.001846  -0.001918
    26  H    0.000073  -0.000140   0.000255  -0.000575   0.001421   0.010403
    27  H    0.000290   0.000155   0.015980  -0.001201  -0.001423  -0.018513
    28  H    0.046124   0.064868  -0.007677  -0.122632  -0.013402   0.000252
    29  C   -0.005155   0.062613   0.011890   0.019600  -0.038773   0.003111
    30  H   -0.022164   0.311204   0.000188  -0.001434   0.007968   0.001096
    31  H   -0.000096   0.027193   0.002832  -0.005620  -0.087996   0.002621
    32  H    0.006854   0.015409  -0.001149   0.012918   0.020252  -0.003058
    33  H   -0.000544   0.011626   0.002457  -0.006028  -0.013271   0.002449
              19         20         21         22         23         24
     1  C   -0.607870   0.892054   0.023031   0.054941  -0.116502   0.078919
     2  C   -0.270047  -0.418073  -0.041088   0.128218  -0.015605   0.026935
     3  C   -0.285117   0.482561  -0.011477  -0.122770   0.019581   0.116741
     4  C    0.113794   0.075701   0.020769   0.036627  -0.021779   0.000703
     5  C    0.474405  -0.289773  -0.008556   0.028151   0.007744   0.013710
     6  C    0.828449  -0.629022   0.035183  -0.048917   0.044646  -0.054039
     7  C   -0.521655  -0.432422   0.095473  -0.193004   0.104125  -0.186390
     8  C    0.122584   0.166598  -1.141576  -0.063026   0.022983   0.306744
     9  C    0.012616  -0.021802   0.123017   0.491719   0.128854  -0.180866
    10  C   -0.031741   0.017887   0.130005  -0.211638   0.099992  -0.003438
    11  C   -0.005405  -0.012904   0.002946   0.009341  -0.004065   0.001534
    12  C   -0.003351   0.001502   0.000182   0.000602   0.001028  -0.000488
    13  O    0.000192   0.000018  -0.000014  -0.000325  -0.000077   0.000049
    14  O   -0.000143   0.000004   0.000022  -0.000132   0.000027  -0.000000
    15  H    0.032346  -0.067649   0.002333  -0.012064   0.009037  -0.000758
    16  H   -0.004860  -0.000784  -0.000723  -0.003936   0.000878  -0.002037
    17  H   -0.000605  -0.004612  -0.000744  -0.000154  -0.000491   0.000995
    18  H   -0.067058   0.033568   0.001551   0.014895   0.000085  -0.003093
    19  H    2.300755  -0.617102  -0.015296   0.013405  -0.013559   0.021551
    20  H   -0.617102   2.301892  -0.016812  -0.018234   0.020634  -0.013786
    21  H   -0.015296  -0.016812   2.355503   0.105993  -0.061037  -0.078514
    22  H    0.013405  -0.018234   0.105993   1.690028  -0.496543  -0.275808
    23  H   -0.013559   0.020634  -0.061037  -0.496543   2.045501  -0.489844
    24  H    0.021551  -0.013786  -0.078514  -0.275808  -0.489844   1.931527
    25  H   -0.014400   0.021888  -0.078009  -0.002377   0.030295  -0.015261
    26  H    0.022260  -0.015070  -0.061478  -0.002594  -0.036819   0.030563
    27  H   -0.019944   0.015679   0.107195  -0.012798  -0.000959  -0.003643
    28  H   -0.000039  -0.000720   0.000231   0.000643  -0.000023  -0.000198
    29  C   -0.000612  -0.002319   0.000223   0.000628  -0.000297   0.000344
    30  H   -0.000152   0.000060   0.000011   0.000098   0.000020  -0.000030
    31  H   -0.000469  -0.000510   0.000069   0.000115  -0.000028  -0.000016
    32  H    0.000270   0.000120  -0.000009  -0.000020  -0.000002   0.000040
    33  H   -0.000526  -0.000072   0.000052  -0.000074  -0.000026   0.000013
              25         26         27         28         29         30
     1  C   -0.061645   0.042924  -0.049354   0.067553   0.147162   0.007014
     2  C   -0.033769   0.006540   0.144644   0.021673  -0.255462  -0.005008
     3  C    0.014321   0.005139   0.041729   0.085396  -0.330984  -0.020791
     4  C    0.006881  -0.021909   0.024576   0.683090  -0.384761  -0.058357
     5  C    0.141694   0.005481  -0.148249  -0.205756  -0.335363  -0.004326
     6  C    0.110418  -0.112021   0.049202  -0.030057   0.236470   0.024993
     7  C   -0.157178   0.090230  -0.188846  -0.016989  -0.052034  -0.000242
     8  C    0.291565   0.032002  -0.063881   0.003682   0.002055   0.000101
     9  C   -0.003701   0.109658  -0.217146  -0.001562  -0.002001   0.000056
    10  C   -0.194346   0.115324   0.518732  -0.001463  -0.001689  -0.000130
    11  C   -0.003239  -0.000140   0.002424  -1.825303   0.714585   0.178320
    12  C    0.001274  -0.000866  -0.000991   0.176666   0.060644  -0.168985
    13  O   -0.000027   0.000073   0.000290   0.046124  -0.005155  -0.022164
    14  O    0.000148  -0.000140   0.000155   0.064868   0.062613   0.311204
    15  H   -0.003476   0.000255   0.015980  -0.007677   0.011890   0.000188
    16  H    0.000952  -0.000575  -0.001201  -0.122632   0.019600  -0.001434
    17  H   -0.001846   0.001421  -0.001423  -0.013402  -0.038773   0.007968
    18  H   -0.001918   0.010403  -0.018513   0.000252   0.003111   0.001096
    19  H   -0.014400   0.022260  -0.019944  -0.000039  -0.000612  -0.000152
    20  H    0.021888  -0.015070   0.015679  -0.000720  -0.002319   0.000060
    21  H   -0.078009  -0.061478   0.107195   0.000231   0.000223   0.000011
    22  H   -0.002377  -0.002594  -0.012798   0.000643   0.000628   0.000098
    23  H    0.030295  -0.036819  -0.000959  -0.000023  -0.000297   0.000020
    24  H   -0.015261   0.030563  -0.003643  -0.000198   0.000344  -0.000030
    25  H    1.940283  -0.489651  -0.275439  -0.000217   0.000034   0.000048
    26  H   -0.489651   2.048580  -0.499052   0.000089  -0.000163  -0.000028
    27  H   -0.275439  -0.499052   1.692371   0.000131   0.001509  -0.000217
    28  H   -0.000217   0.000089   0.000131   2.539705   0.054851   0.007867
    29  C    0.000034  -0.000163   0.001509   0.054851   4.632101  -0.016296
    30  H    0.000048  -0.000028  -0.000217   0.007867  -0.016296   0.564054
    31  H   -0.000177  -0.000028   0.000512   0.079761   0.547832  -0.007018
    32  H    0.000039  -0.000003   0.000077  -0.000982  -0.157331  -0.000773
    33  H    0.000028  -0.000040   0.000028  -0.018410   0.093428   0.003014
              31         32         33
     1  C    0.092945  -0.056628   0.068797
     2  C   -0.136800   0.081229  -0.065139
     3  C   -0.054432  -0.062725   0.045176
     4  C   -0.250624   1.043730  -0.553772
     5  C   -0.308432   0.080549  -0.013432
     6  C    0.148413  -0.079175   0.073327
     7  C   -0.016472   0.003523  -0.009234
     8  C    0.001494  -0.000291   0.000383
     9  C   -0.000557   0.000078  -0.000228
    10  C   -0.000759   0.000030  -0.000184
    11  C    0.209913  -0.810661   0.513341
    12  C    0.027872  -0.038532   0.002396
    13  O   -0.000096   0.006854  -0.000544
    14  O    0.027193   0.015409   0.011626
    15  H    0.002832  -0.001149   0.002457
    16  H   -0.005620   0.012918  -0.006028
    17  H   -0.087996   0.020252  -0.013271
    18  H    0.002621  -0.003058   0.002449
    19  H   -0.000469   0.000270  -0.000526
    20  H   -0.000510   0.000120  -0.000072
    21  H    0.000069  -0.000009   0.000052
    22  H    0.000115  -0.000020  -0.000074
    23  H   -0.000028  -0.000002  -0.000026
    24  H   -0.000016   0.000040   0.000013
    25  H   -0.000177   0.000039   0.000028
    26  H   -0.000028  -0.000003  -0.000040
    27  H    0.000512   0.000077   0.000028
    28  H    0.079761  -0.000982  -0.018410
    29  C    0.547832  -0.157331   0.093428
    30  H   -0.007018  -0.000773   0.003014
    31  H    1.474190  -0.359327  -0.246192
    32  H   -0.359327   1.880920  -0.327885
    33  H   -0.246192  -0.327885   1.623167
 Mulliken charges:
               1
     1  C    0.668713
     2  C    0.871052
     3  C    0.814822
     4  C    0.334107
     5  C    0.922676
     6  C    0.537573
     7  C    1.423541
     8  C   -0.849550
     9  C    1.158072
    10  C    1.149722
    11  C    0.229269
    12  C    0.769764
    13  O   -0.577714
    14  O   -0.552939
    15  H   -1.075727
    16  H   -1.044691
    17  H   -1.063675
    18  H   -1.101839
    19  H   -0.462677
    20  H   -0.468501
    21  H   -0.488455
    22  H   -0.110991
    23  H   -0.277776
    24  H   -0.222162
    25  H   -0.223194
    26  H   -0.280365
    27  H   -0.113578
    28  H   -0.587153
    29  C    0.994159
    30  H    0.199839
    31  H   -0.140209
    32  H   -0.247487
    33  H   -0.184624
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.407015
     2  C    0.871052
     3  C   -0.229869
     4  C    0.334107
     5  C   -0.140999
     6  C   -0.564266
     7  C    0.492363
     8  C   -1.338005
     9  C    0.547144
    10  C    0.532584
    11  C   -0.357884
    12  C    0.769764
    13  O   -0.577714
    14  O   -0.353101
    29  C    0.421839
 Electronic spatial extent (au):  <R**2>=           4250.0296
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.8842    Y=             -0.7866    Z=             -1.5994  Tot=              1.9896
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -86.7044   YY=            -90.9456   ZZ=            -92.8628
   XY=              1.7145   XZ=              5.6115   YZ=             -6.6931
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.4665   YY=             -0.7747   ZZ=             -2.6919
   XY=              1.7145   XZ=              5.6115   YZ=             -6.6931
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.8213  YYY=             29.3771  ZZZ=             -6.7045  XYY=            -18.2515
  XXY=             -3.9423  XXZ=            -20.8645  XZZ=              6.1026  YZZ=             -6.5764
  YYZ=             -5.7958  XYZ=             16.5718
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4229.4347 YYYY=           -726.9271 ZZZZ=           -636.1212 XXXY=            -23.7288
 XXXZ=             67.0914 YYYX=            -77.5565 YYYZ=            -27.4501 ZZZX=              5.8016
 ZZZY=            -22.9218 XXYY=           -794.3690 XXZZ=           -871.0072 YYZZ=           -243.4137
 XXYZ=            -59.5126 YYXZ=             43.5759 ZZXY=              4.1458
 N-N= 9.839470857417D+02 E-N=-3.495053314989D+03  KE= 6.526085053435D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:08:22 2021, MaxMem=  6442450944 cpu:               5.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.39577811D-01-2.87272771D-01-6.13776507D-01
 Polarizability= 1.98599416D+02-1.02311466D+00 1.29438191D+02
                -5.60187804D-01-6.77632298D+00 1.47115336D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3399    0.3413       -0.6510   -0.6520
 2     -0.3399   -0.3413        3.3413    3.3396      -36.2453  -36.2432
 3      0.6510    0.6520       26.8960   26.8945       -3.3412   -3.3396
 4     -3.3413   -3.3396       -0.0000    0.0000        0.6507    0.6520
 5      9.3493    9.3487       -0.6507   -0.6520        0.3415    0.3413
 6      3.3412    3.3396       -0.3415   -0.3413       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0240   -1.0240       -1.9559   -1.9559
 2    -10.0187  -10.0187       -0.0000    0.0000       -1.9559   -1.9559
 3    -10.0187  -10.0187       -1.0240   -1.0240       -0.0000    0.0000
 4     -1.0240   -1.0240       10.0187   10.0187     -108.7297 -108.7297
 5      1.9559    1.9559       80.6836   80.6836      -10.0187  -10.0187
 6     28.0461   28.0461       -1.9559   -1.9559        1.0240    1.0240
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.1218    0.0000       -0.7976   -1.3654        1.6104    2.6079
 2     -0.5803    1.3654      -16.5227  -13.3582      142.8570  144.9729
 3     -1.8672   -2.6079     -108.3196 -107.5781       13.8978   13.3582
 4     14.0965   13.3582        0.4924    0.0000       -3.0715   -2.6079
 5    -36.9878  -37.3948        2.1415    2.6079       -0.7774   -1.3654
 6    -13.2366  -13.3582        1.1638    1.3654       -0.1761    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.2611    0.0000      -95.7956  -97.9501       -0.3093   -2.8978
 2    100.2492   97.9501       11.2350    9.7662       10.1377   10.7367
 3      0.5069    2.8978       31.9663   32.1036      -10.6498   -9.7662
 4    -12.4417   -9.7662       -2.8355    0.0000        1.2415    2.8978
 5    -43.0425  -42.8403       -2.5432   -2.8978      -98.5932  -97.9501
 6      9.4790    9.7662       98.6617   97.9501       -0.3440    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -13.4975  -14.6221       -1.2340   -1.4723      -17.0019  -19.3473
 2    -28.6651  -29.0616      -79.2255  -78.3593      -16.7857  -19.3473
 3    -29.5243  -29.0616       -2.6605   -1.4723      -18.3947  -20.0146
 4     77.7100   76.8870       14.4264   14.4395       23.8791   24.5526
 5     -0.9614   -0.6673       40.0535   39.6360      -15.3367  -14.4395
 6    -66.2278  -64.1886       -0.1821    0.6673      -78.8908  -76.8870
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0002    0.0006    0.0007    2.7454    3.6231    7.2845
 Low frequencies ---   21.9162   38.6948   48.0069
 Diagonal vibrational polarizability:
       34.3937459      29.8762995      10.2499969
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.8979                38.6888                48.0036
 Red. masses --      3.9123                 7.5997                 3.5819
 Frc consts  --      0.0011                 0.0067                 0.0049
 IR Inten    --      0.4615                 0.8274                 0.2989
 RamAct Fr= 1--      0.7535                 1.3841                 0.9884
  Dep-P Fr= 1--      0.7212                 0.6682                 0.6999
  Dep-U Fr= 1--      0.8380                 0.8011                 0.8234
 Alpha2 Fr= 1--      0.0004                 0.0020                 0.0009
 Beta2  Fr= 1--      0.1052                 0.1848                 0.1356
 AlphaG Fr= 1--     -0.0018                 0.0082                -0.0050
 Gamma2 Fr= 1--     -0.1885                -0.2406                -0.5140
 Delta2 Fr= 1--     -0.2766                 0.2019                -0.3504
 Raman1 Fr= 1--       3.014                  5.536                  3.954
 ROA1   Fr= 1--     -26.942                -16.633                -60.555
 CID1   Fr= 1--      -8.939                 -3.004                -15.317
 Raman2 Fr= 1--       1.263                  2.218                  1.628
 ROA2   Fr= 1--      -2.311                 -7.389                 -9.532
 CID2   Fr= 1--      -1.830                 -3.332                 -5.856
 Raman3 Fr= 1--       2.526                  4.435                  3.255
 ROA3   Fr= 1--     -26.942                -16.633                -60.555
 CID3   Fr= 1--     -10.667                 -3.750                -18.601
 RC180  Fr= 1--       0.676                  0.602                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.05    -0.01  -0.06  -0.02     0.02   0.09   0.01
     2   6     0.00  -0.03   0.05    -0.01  -0.06  -0.02     0.00  -0.02  -0.03
     3   6    -0.03   0.02   0.01    -0.01  -0.08  -0.03     0.02   0.09   0.02
     4   6    -0.01  -0.05  -0.04    -0.01  -0.10  -0.04     0.00  -0.02  -0.01
     5   6     0.02  -0.10  -0.04    -0.01  -0.12  -0.04    -0.02  -0.14  -0.05
     6   6     0.02  -0.10   0.00    -0.01  -0.10  -0.04    -0.02  -0.13  -0.06
     7   6     0.01  -0.02   0.09    -0.00   0.04   0.01     0.00   0.02  -0.05
     8   6    -0.03   0.03  -0.00    -0.11   0.10   0.06    -0.03   0.03  -0.02
     9   6    -0.10   0.18  -0.05    -0.16   0.06   0.06     0.11  -0.10   0.03
    10   6    -0.01  -0.06  -0.14    -0.20   0.09   0.08    -0.20   0.09   0.13
    11   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.03  -0.02   0.06     0.16   0.03  -0.01     0.03   0.01  -0.01
    13   8    -0.02  -0.12   0.11     0.51   0.12  -0.00    -0.11  -0.00  -0.02
    14   8     0.15   0.12   0.11    -0.08  -0.03  -0.02     0.20   0.04  -0.01
    15   1    -0.04   0.08   0.09    -0.01  -0.04  -0.01     0.04   0.17   0.03
    16   1    -0.05   0.07   0.01    -0.01  -0.07  -0.02     0.04   0.17   0.05
    17   1     0.04  -0.15  -0.07    -0.02  -0.14  -0.05    -0.03  -0.22  -0.08
    18   1     0.04  -0.15  -0.00    -0.01  -0.11  -0.04    -0.04  -0.21  -0.09
    19   1     0.04  -0.11   0.12     0.04   0.08   0.02    -0.01   0.06  -0.06
    20   1     0.01   0.05   0.18     0.05   0.07   0.01     0.03   0.01  -0.08
    21   1    -0.02   0.03   0.06    -0.09   0.19   0.06    -0.04   0.11  -0.15
    22   1    -0.11   0.18  -0.12    -0.18  -0.03   0.06     0.13  -0.17   0.16
    23   1    -0.12   0.21  -0.10    -0.23   0.10   0.09     0.10  -0.09   0.03
    24   1    -0.11   0.24   0.05    -0.10   0.07   0.05     0.23  -0.14  -0.08
    25   1     0.04  -0.17  -0.11    -0.17   0.13   0.08    -0.30   0.19   0.09
    26   1    -0.03  -0.03  -0.20    -0.27   0.14   0.11    -0.23   0.11   0.13
    27   1    -0.02  -0.06  -0.21    -0.22   0.00   0.08    -0.20   0.01   0.27
    28   1    -0.05  -0.12  -0.11    -0.01   0.01  -0.01     0.02   0.03   0.02
    29   6    -0.02   0.10  -0.16    -0.08   0.04  -0.00    -0.04   0.02   0.04
    30   1     0.18   0.11   0.19     0.08   0.01  -0.02     0.19   0.04  -0.03
    31   1    -0.01   0.20  -0.12    -0.06   0.01  -0.01    -0.06   0.01   0.04
    32   1    -0.02   0.11  -0.16    -0.07   0.13   0.01    -0.03   0.04   0.08
    33   1    -0.05   0.09  -0.27    -0.16   0.02   0.01    -0.05   0.01   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     60.6395                91.0160               116.7064
 Red. masses --      4.3923                 2.8783                 4.4344
 Frc consts  --      0.0095                 0.0140                 0.0356
 IR Inten    --      0.2323                 0.0469                 0.0204
 RamAct Fr= 1--      2.9315                 1.9900                 3.3528
  Dep-P Fr= 1--      0.7493                 0.7423                 0.6286
  Dep-U Fr= 1--      0.8567                 0.8521                 0.7719
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0074
 Beta2  Fr= 1--      0.4186                 0.2826                 0.4314
 AlphaG Fr= 1--      0.0006                 0.0017                -0.0004
 Gamma2 Fr= 1--      0.3646                 0.4138                -0.0829
 Delta2 Fr= 1--      0.3809                 0.2017                 0.0013
 Raman1 Fr= 1--      11.726                  7.960                 13.411
 ROA1   Fr= 1--      47.190                 46.180                 -7.915
 CID1   Fr= 1--       4.024                  5.801                 -0.590
 Raman2 Fr= 1--       5.023                  3.391                  5.176
 ROA2   Fr= 1--       5.703                  8.318                 -2.000
 CID2   Fr= 1--       1.135                  2.453                 -0.386
 Raman3 Fr= 1--      10.045                  6.783                 10.353
 ROA3   Fr= 1--      47.190                 46.180                 -7.915
 CID3   Fr= 1--       4.698                  6.808                 -0.765
 RC180  Fr= 1--       0.713                  0.704                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.20  -0.07     0.03   0.11  -0.04    -0.07   0.03   0.02
     2   6     0.02  -0.06  -0.04    -0.00   0.03  -0.08    -0.07   0.13   0.04
     3   6     0.03  -0.18  -0.04     0.04   0.11  -0.02    -0.09  -0.09  -0.01
     4   6     0.03  -0.02   0.03     0.00   0.00  -0.03    -0.10  -0.12  -0.01
     5   6     0.02   0.07   0.05    -0.03  -0.09  -0.08    -0.10  -0.02   0.02
     6   6     0.01   0.05   0.01    -0.03  -0.07  -0.10    -0.09   0.11   0.05
     7   6     0.02   0.01  -0.03     0.00   0.03  -0.07    -0.07   0.10   0.01
     8   6    -0.07   0.05   0.01     0.02  -0.02   0.07     0.06   0.02  -0.01
     9   6    -0.22   0.06  -0.00    -0.17  -0.03   0.06     0.15   0.03  -0.01
    10   6    -0.04   0.02  -0.03     0.20   0.01   0.04     0.18   0.06  -0.01
    11   6     0.04   0.04   0.08     0.01  -0.00   0.03    -0.10  -0.09   0.00
    12   6     0.04   0.04  -0.01     0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.12   0.06  -0.06    -0.01  -0.01   0.03     0.10  -0.01  -0.04
    14   8     0.24   0.02  -0.04     0.00  -0.01   0.03     0.20  -0.04  -0.03
    15   1     0.03  -0.30  -0.12     0.05   0.18  -0.03    -0.06   0.04   0.01
    16   1     0.04  -0.27  -0.06     0.07   0.18   0.02    -0.08  -0.16  -0.02
    17   1     0.01   0.18   0.10    -0.06  -0.17  -0.09    -0.11  -0.03   0.03
    18   1     0.00   0.14   0.04    -0.06  -0.13  -0.13    -0.09   0.18   0.07
    19   1     0.05   0.05  -0.04     0.02   0.13  -0.09    -0.12   0.09  -0.00
    20   1     0.05   0.02  -0.05    -0.03  -0.04  -0.14    -0.10   0.06  -0.02
    21   1    -0.04   0.09   0.11     0.03  -0.07   0.22     0.03  -0.10  -0.05
    22   1    -0.25   0.02  -0.10    -0.18   0.07  -0.09     0.19   0.13   0.03
    23   1    -0.27   0.09   0.04    -0.12  -0.11   0.17     0.25  -0.03  -0.03
    24   1    -0.24   0.09   0.04    -0.36  -0.08   0.10     0.10   0.00  -0.02
    25   1     0.06   0.01  -0.02     0.40   0.03   0.05     0.14   0.04  -0.01
    26   1    -0.09   0.05   0.01     0.17  -0.00   0.18     0.27  -0.00  -0.02
    27   1    -0.06  -0.01  -0.13     0.17   0.02  -0.15     0.21   0.17  -0.00
    28   1     0.06   0.11   0.11     0.06   0.01   0.04    -0.11  -0.06   0.01
    29   6    -0.01  -0.01   0.15    -0.04  -0.02   0.09    -0.18  -0.04   0.02
    30   1     0.20   0.02  -0.10    -0.01  -0.01   0.02     0.32  -0.01  -0.06
    31   1    -0.01  -0.08   0.13    -0.11  -0.04   0.07    -0.15  -0.08   0.01
    32   1    -0.00   0.04   0.17    -0.03  -0.03   0.15    -0.17   0.07   0.03
    33   1    -0.04  -0.01   0.22    -0.03  -0.02   0.08    -0.28  -0.06   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    162.9938               199.9986               232.8944
 Red. masses --      3.7665                 3.0282                 1.1623
 Frc consts  --      0.0590                 0.0714                 0.0371
 IR Inten    --      0.1605                 0.0179                 0.0103
 RamAct Fr= 1--      0.5887                 0.3207                 0.2396
  Dep-P Fr= 1--      0.1453                 0.0990                 0.7451
  Dep-U Fr= 1--      0.2537                 0.1802                 0.8539
 Alpha2 Fr= 1--      0.0092                 0.0056                 0.0000
 Beta2  Fr= 1--      0.0249                 0.0096                 0.0341
 AlphaG Fr= 1--     -0.0084                -0.0114                -0.0004
 Gamma2 Fr= 1--     -0.1398                 0.3112                 0.3946
 Delta2 Fr= 1--     -0.0675                 0.2314                 0.1601
 Raman1 Fr= 1--       2.355                  1.283                  0.959
 ROA1   Fr= 1--     -15.581                 37.282                 43.002
 CID1   Fr= 1--      -6.617                 29.060                 44.862
 Raman2 Fr= 1--       0.299                  0.116                  0.409
 ROA2   Fr= 1--      -2.815                  5.618                  8.189
 CID2   Fr= 1--      -9.425                 48.594                 20.010
 Raman3 Fr= 1--       0.597                  0.231                  0.819
 ROA3   Fr= 1--     -15.581                 37.282                 43.002
 CID3   Fr= 1--     -26.086                161.236                 52.536
 RC180  Fr= 1--      -0.493                 -0.640                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.09   0.06     0.04  -0.08   0.04     0.01   0.04   0.00
     2   6    -0.05   0.03   0.01     0.01  -0.05   0.02     0.01   0.02  -0.00
     3   6     0.02   0.10   0.12     0.03  -0.09   0.08     0.01   0.03  -0.00
     4   6    -0.00   0.05   0.11     0.00  -0.07   0.11     0.01  -0.00  -0.01
     5   6    -0.05   0.08   0.10    -0.02  -0.13   0.08     0.02   0.03  -0.00
     6   6    -0.07   0.08   0.05    -0.03  -0.11   0.04     0.02   0.04  -0.00
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.01  -0.02   0.00
     8   6    -0.07  -0.04  -0.05     0.02   0.05  -0.04    -0.00  -0.01   0.00
     9   6    -0.14  -0.10  -0.04     0.01  -0.01  -0.03    -0.02  -0.02   0.00
    10   6    -0.05  -0.01  -0.02     0.09   0.11  -0.00    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01    -0.01   0.02   0.03     0.01  -0.01  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.00     0.01  -0.02   0.00
    13   8     0.09  -0.01  -0.02    -0.07   0.06  -0.03    -0.00  -0.03   0.01
    14   8     0.13  -0.04  -0.02    -0.07  -0.02  -0.02     0.00  -0.02   0.00
    15   1     0.04   0.10   0.03     0.06  -0.07   0.02     0.01   0.05   0.00
    16   1     0.04   0.12   0.13     0.07  -0.10   0.10     0.01   0.04  -0.00
    17   1    -0.09   0.08   0.13    -0.04  -0.15   0.09     0.02   0.04  -0.00
    18   1    -0.10   0.07   0.04    -0.07  -0.12   0.02     0.02   0.05   0.00
    19   1    -0.15   0.05  -0.13    -0.06   0.15  -0.12     0.01  -0.02   0.00
    20   1    -0.05  -0.06  -0.17     0.10   0.03  -0.18    -0.01  -0.02   0.01
    21   1    -0.07  -0.04  -0.02     0.02   0.03  -0.04     0.00   0.00   0.01
    22   1    -0.13  -0.04  -0.09     0.03   0.09  -0.06    -0.04  -0.06  -0.00
    23   1    -0.09  -0.16   0.04     0.10  -0.09   0.03    -0.07   0.01   0.00
    24   1    -0.24  -0.16  -0.06    -0.10  -0.07  -0.07     0.01  -0.00   0.00
    25   1     0.01   0.04  -0.02     0.23   0.20  -0.00    -0.05  -0.05  -0.00
    26   1    -0.07  -0.01   0.05     0.04   0.11   0.15    -0.03  -0.02  -0.03
    27   1    -0.06  -0.03  -0.05     0.06   0.07  -0.11    -0.03  -0.04   0.02
    28   1    -0.11  -0.09  -0.02    -0.13  -0.01  -0.01     0.01  -0.01  -0.01
    29   6     0.18  -0.06  -0.14     0.03   0.15  -0.12    -0.04   0.01   0.01
    30   1     0.24  -0.01  -0.04    -0.13  -0.03  -0.05    -0.02  -0.03  -0.00
    31   1     0.27   0.02  -0.09     0.30   0.12  -0.08     0.37  -0.35  -0.04
    32   1     0.15  -0.19  -0.27     0.01   0.37  -0.34    -0.06   0.49  -0.30
    33   1     0.29  -0.04  -0.17    -0.18   0.10  -0.06    -0.46  -0.08   0.38
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.2536               255.2333               269.0494
 Red. masses --      1.0957                 2.4751                 1.0826
 Frc consts  --      0.0398                 0.0950                 0.0462
 IR Inten    --      0.0150                 0.1219                 0.4622
 RamAct Fr= 1--      0.9485                 0.8330                 0.4474
  Dep-P Fr= 1--      0.2878                 0.7431                 0.1533
  Dep-U Fr= 1--      0.4469                 0.8526                 0.2658
 Alpha2 Fr= 1--      0.0101                 0.0001                 0.0069
 Beta2  Fr= 1--      0.0707                 0.1184                 0.0198
 AlphaG Fr= 1--      0.0312                -0.0001                 0.0084
 Gamma2 Fr= 1--      0.0330                 0.8751                -0.0450
 Delta2 Fr= 1--     -0.0710                 0.3650                -0.0610
 Raman1 Fr= 1--       3.794                  3.332                  1.790
 ROA1   Fr= 1--       0.895                 95.689                 -6.275
 CID1   Fr= 1--       0.236                 28.717                 -3.507
 Raman2 Fr= 1--       0.848                  1.421                  0.238
 ROA2   Fr= 1--       1.360                 18.083                 -0.593
 CID2   Fr= 1--       1.604                 12.730                 -2.491
 Raman3 Fr= 1--       1.696                  2.841                  0.476
 ROA3   Fr= 1--       0.895                 95.689                 -6.275
 CID3   Fr= 1--       0.528                 33.681                -13.192
 RC180  Fr= 1--      -0.106                  0.705                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.05  -0.06  -0.02     0.01   0.00  -0.01
     2   6     0.01  -0.00   0.02    -0.05  -0.04  -0.02     0.00  -0.00  -0.01
     3   6    -0.01  -0.00  -0.01    -0.04  -0.03  -0.01     0.01   0.00  -0.00
     4   6     0.00   0.00  -0.02    -0.02   0.02   0.00     0.01  -0.00  -0.00
     5   6     0.02   0.02  -0.01    -0.04  -0.04  -0.02     0.01   0.00  -0.00
     6   6     0.02   0.01   0.01    -0.05  -0.08  -0.03     0.01   0.00  -0.01
     7   6     0.00  -0.01   0.01    -0.04   0.02   0.01    -0.00  -0.01   0.00
     8   6    -0.00   0.00  -0.01    -0.02   0.02   0.01    -0.01  -0.01   0.01
     9   6     0.03   0.00  -0.01     0.05   0.05   0.01    -0.02   0.02  -0.00
    10   6    -0.04  -0.01  -0.01     0.04   0.04   0.02    -0.02  -0.00   0.02
    11   6     0.00   0.00  -0.01    -0.01   0.04  -0.02     0.02  -0.00   0.01
    12   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02     0.01  -0.01   0.01
    13   8     0.01  -0.02   0.00     0.02  -0.01   0.02    -0.01   0.00  -0.00
    14   8    -0.00   0.02   0.00    -0.00   0.16   0.03     0.00  -0.04  -0.00
    15   1    -0.02   0.00   0.02    -0.05  -0.08  -0.03     0.02   0.00  -0.01
    16   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.02     0.02   0.00  -0.00
    17   1     0.03   0.03  -0.01    -0.04  -0.04  -0.02     0.01   0.01  -0.00
    18   1     0.03   0.01   0.02    -0.04  -0.10  -0.04     0.01   0.01  -0.01
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.02     0.01  -0.01   0.00
    20   1     0.01   0.00   0.02    -0.03   0.03   0.02    -0.01  -0.01   0.01
    21   1    -0.00   0.01  -0.03    -0.03  -0.03  -0.01    -0.01  -0.01   0.00
    22   1     0.11   0.38  -0.07     0.08   0.20   0.02     0.06   0.43  -0.11
    23   1     0.34  -0.24   0.06     0.17  -0.03  -0.02     0.30  -0.23   0.07
    24   1    -0.33  -0.13  -0.02    -0.06   0.02   0.02    -0.41  -0.10   0.03
    25   1     0.33   0.13   0.01    -0.06   0.02   0.01    -0.40  -0.11   0.00
    26   1    -0.34   0.13   0.26     0.16  -0.03  -0.04     0.23  -0.12  -0.24
    27   1    -0.16  -0.30  -0.27     0.09   0.16   0.09     0.08   0.23   0.31
    28   1     0.02   0.01  -0.01    -0.03   0.10  -0.00     0.02  -0.02   0.00
    29   6    -0.02  -0.02   0.02     0.15  -0.17   0.02    -0.01   0.04  -0.00
    30   1    -0.00   0.01   0.02     0.02   0.15   0.11    -0.01  -0.04  -0.03
    31   1    -0.03  -0.05   0.00     0.40  -0.46  -0.04    -0.02   0.07   0.01
    32   1    -0.02   0.00   0.03     0.11  -0.11  -0.24    -0.00   0.05   0.02
    33   1    -0.03  -0.02   0.04     0.13  -0.16   0.37    -0.02   0.03  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    283.3657               335.0054               359.1586
 Red. masses --      3.3458                 3.7323                 3.0804
 Frc consts  --      0.1583                 0.2468                 0.2341
 IR Inten    --      0.2211                 0.9197                 0.4476
 RamAct Fr= 1--      1.4409                 1.3391                 2.0871
  Dep-P Fr= 1--      0.6385                 0.6761                 0.4057
  Dep-U Fr= 1--      0.7793                 0.8067                 0.5772
 Alpha2 Fr= 1--      0.0029                 0.0017                 0.0151
 Beta2  Fr= 1--      0.1872                 0.1800                 0.2008
 AlphaG Fr= 1--     -0.0011                 0.0001                 0.0094
 Gamma2 Fr= 1--     -1.4467                -0.3639                 0.9415
 Delta2 Fr= 1--     -0.2637                -0.8861                 0.5612
 Raman1 Fr= 1--       5.764                  5.356                  8.349
 ROA1   Fr= 1--    -147.317                -63.291                108.345
 CID1   Fr= 1--     -25.559                -11.816                 12.978
 Raman2 Fr= 1--       2.246                  2.161                  2.409
 ROA2   Fr= 1--     -32.610                 -1.645                 18.107
 CID2   Fr= 1--     -14.519                 -0.762                  7.516
 Raman3 Fr= 1--       4.492                  4.321                  4.819
 ROA3   Fr= 1--    -147.317                -63.291                108.345
 CID3   Fr= 1--     -32.795                -14.647                 22.485
 RC180  Fr= 1--       0.559                  0.613                  0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.13     0.11   0.08  -0.03     0.04  -0.04  -0.03
     2   6     0.05  -0.02   0.14     0.04   0.14  -0.04     0.01  -0.14  -0.07
     3   6    -0.02   0.01   0.03     0.10  -0.10   0.05     0.05   0.09   0.07
     4   6     0.02  -0.03  -0.02     0.01  -0.15   0.08    -0.00   0.05   0.08
     5   6     0.09  -0.01   0.02    -0.05  -0.10   0.07    -0.01   0.09   0.10
     6   6     0.10   0.00   0.12    -0.04   0.10   0.00    -0.03  -0.04  -0.00
     7   6     0.03   0.00  -0.05     0.04   0.06  -0.05     0.02  -0.08  -0.09
     8   6     0.00   0.03  -0.11     0.05  -0.02   0.08     0.01  -0.07   0.02
     9   6    -0.11  -0.13  -0.09     0.00  -0.00   0.08     0.03   0.17  -0.03
    10   6     0.03   0.11  -0.02    -0.08  -0.17  -0.04     0.02   0.00   0.13
    11   6     0.00   0.00  -0.09    -0.00  -0.01  -0.03    -0.04  -0.03  -0.04
    12   6     0.00   0.01  -0.08     0.01   0.04  -0.09    -0.02  -0.03  -0.07
    13   8     0.02  -0.08  -0.01    -0.01  -0.03  -0.04     0.04  -0.09  -0.02
    14   8    -0.04   0.14  -0.02    -0.06   0.18  -0.02    -0.01   0.06  -0.04
    15   1    -0.05   0.02   0.18     0.19   0.11  -0.07     0.07  -0.03  -0.04
    16   1    -0.08   0.03   0.02     0.18  -0.16   0.07     0.11   0.15   0.12
    17   1     0.14  -0.01  -0.02    -0.12  -0.15   0.11    -0.02   0.17   0.14
    18   1     0.16   0.01   0.15    -0.13   0.16  -0.02    -0.07  -0.02  -0.02
    19   1    -0.13   0.00  -0.08     0.03   0.20  -0.09     0.03   0.07  -0.13
    20   1     0.15   0.03  -0.10    -0.04  -0.07  -0.17     0.06  -0.15  -0.20
    21   1     0.01   0.06  -0.09     0.06   0.02   0.10     0.01  -0.08   0.02
    22   1    -0.14  -0.19  -0.17     0.00   0.03   0.05     0.03   0.22  -0.08
    23   1    -0.16  -0.14   0.09     0.02  -0.02   0.10     0.01   0.25  -0.29
    24   1    -0.16  -0.21  -0.17    -0.04  -0.01   0.09     0.08   0.35   0.18
    25   1    -0.15   0.15  -0.05    -0.16  -0.37  -0.01     0.00   0.17   0.09
    26   1     0.20   0.01  -0.06    -0.16  -0.06  -0.27     0.02  -0.03   0.26
    27   1     0.10   0.26   0.14    -0.10  -0.25  -0.01     0.02  -0.01   0.20
    28   1     0.01   0.08  -0.06    -0.11   0.09  -0.01    -0.09   0.01  -0.04
    29   6    -0.10  -0.07   0.05    -0.02  -0.03  -0.00    -0.12  -0.01  -0.01
    30   1    -0.07   0.12   0.11    -0.13   0.14   0.14     0.06   0.06   0.05
    31   1    -0.26  -0.13   0.00    -0.10  -0.00  -0.01    -0.19  -0.02  -0.03
    32   1    -0.08  -0.07   0.22    -0.01  -0.08   0.07    -0.09   0.04   0.09
    33   1    -0.08  -0.06   0.08     0.03  -0.02  -0.04    -0.17  -0.03  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    391.9542               406.6735               409.7655
 Red. masses --      2.5316                 2.8265                 2.4905
 Frc consts  --      0.2292                 0.2754                 0.2464
 IR Inten    --      0.7566                 0.5987                 0.7956
 RamAct Fr= 1--      2.2486                 4.9946                 1.2546
  Dep-P Fr= 1--      0.2342                 0.0942                 0.2166
  Dep-U Fr= 1--      0.3795                 0.1722                 0.3561
 Alpha2 Fr= 1--      0.0278                 0.0887                 0.0163
 Beta2  Fr= 1--      0.1422                 0.1434                 0.0745
 AlphaG Fr= 1--      0.0109                 0.0097                 0.0225
 Gamma2 Fr= 1--     -0.2625                -0.3606                 1.1174
 Delta2 Fr= 1--     -0.2614                -0.2517                 0.3711
 Raman1 Fr= 1--       8.994                 19.979                  5.018
 ROA1   Fr= 1--     -33.569                -42.674                119.144
 CID1   Fr= 1--      -3.732                 -2.136                 23.742
 Raman2 Fr= 1--       1.707                  1.721                  0.893
 ROA2   Fr= 1--      -4.209                 -6.641                 23.849
 CID2   Fr= 1--      -2.466                 -3.860                 26.694
 Raman3 Fr= 1--       3.414                  3.441                  1.787
 ROA3   Fr= 1--     -33.569                -42.674                119.144
 CID3   Fr= 1--      -9.833                -12.401                 66.679
 RC180  Fr= 1--      -0.241                 -0.656                 -0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01     0.03  -0.01  -0.10     0.01  -0.05  -0.06
     2   6    -0.01   0.10   0.02     0.09  -0.02  -0.08    -0.06   0.00  -0.07
     3   6    -0.00  -0.07  -0.02     0.03   0.05   0.00     0.05   0.05   0.08
     4   6     0.00  -0.09  -0.04    -0.07   0.01   0.06     0.05  -0.02   0.06
     5   6    -0.01  -0.09  -0.04    -0.02  -0.02   0.06    -0.04  -0.04   0.01
     6   6     0.01   0.09   0.01     0.00   0.01  -0.01    -0.05   0.07  -0.05
     7   6    -0.02  -0.08   0.03     0.16  -0.04   0.10    -0.06  -0.04   0.13
     8   6     0.06  -0.12  -0.07     0.10   0.05  -0.04    -0.09   0.02  -0.03
     9   6    -0.05   0.06  -0.14    -0.03  -0.06  -0.03     0.00  -0.04  -0.01
    10   6    -0.01   0.01   0.15    -0.00   0.04  -0.01     0.03   0.07  -0.03
    11   6     0.03   0.01   0.02    -0.15  -0.04   0.01     0.08   0.01   0.00
    12   6     0.02   0.03   0.02    -0.10   0.01   0.03     0.07  -0.02  -0.07
    13   8    -0.03   0.05  -0.00     0.00   0.10   0.00     0.01  -0.12  -0.03
    14   8    -0.01   0.01   0.02     0.01   0.02   0.03    -0.02   0.04  -0.04
    15   1     0.02   0.08   0.00     0.02  -0.03  -0.10     0.09  -0.10  -0.14
    16   1    -0.01  -0.09  -0.04     0.14   0.06   0.06     0.09   0.12   0.12
    17   1    -0.03  -0.14  -0.05    -0.01  -0.02   0.05    -0.12  -0.10   0.06
    18   1     0.02   0.13   0.02    -0.10   0.07  -0.04    -0.07   0.15  -0.04
    19   1    -0.04  -0.24   0.06     0.32  -0.34   0.20     0.13  -0.38   0.26
    20   1    -0.13  -0.05   0.14     0.06   0.14   0.40    -0.18   0.16   0.48
    21   1     0.06  -0.12  -0.07     0.12   0.12  -0.02    -0.10  -0.02  -0.05
    22   1    -0.10   0.06  -0.33    -0.06  -0.07  -0.14     0.03  -0.04   0.10
    23   1    -0.15   0.16  -0.25    -0.05  -0.10   0.16     0.05  -0.09   0.02
    24   1    -0.09   0.21   0.07    -0.14  -0.14  -0.08     0.03  -0.11  -0.10
    25   1    -0.05   0.32   0.08    -0.06   0.07  -0.02     0.12   0.12  -0.02
    26   1    -0.06  -0.02   0.38    -0.03   0.07  -0.03     0.09   0.01   0.08
    27   1    -0.01  -0.10   0.30    -0.00  -0.02   0.07     0.04   0.16  -0.12
    28   1     0.03   0.01   0.02    -0.18  -0.08  -0.01     0.03   0.08   0.02
    29   6     0.06   0.00   0.01    -0.07  -0.09  -0.07     0.02   0.07   0.04
    30   1    -0.09  -0.01   0.01     0.25   0.08   0.02    -0.17  -0.00   0.03
    31   1     0.08   0.02   0.02    -0.01  -0.09  -0.06    -0.05   0.10   0.04
    32   1     0.05  -0.04  -0.03    -0.09  -0.15  -0.15     0.04   0.13   0.12
    33   1     0.10   0.02   0.01    -0.02  -0.08  -0.04    -0.04   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    423.5012               490.3380               559.2527
 Red. masses --      2.8423                 3.4755                 2.6828
 Frc consts  --      0.3004                 0.4923                 0.4944
 IR Inten    --      0.0991                 3.5355                20.3893
 RamAct Fr= 1--      0.0911                 1.2957                 0.4477
  Dep-P Fr= 1--      0.4704                 0.1455                 0.6263
  Dep-U Fr= 1--      0.6399                 0.2541                 0.7702
 Alpha2 Fr= 1--      0.0005                 0.0203                 0.0010
 Beta2  Fr= 1--      0.0097                 0.0549                 0.0575
 AlphaG Fr= 1--      0.0102                -0.0078                 0.0009
 Gamma2 Fr= 1--      0.6050                -0.0264                 0.2131
 Delta2 Fr= 1--     -0.0082                -0.1446                 0.0741
 Raman1 Fr= 1--       0.365                  5.183                  1.791
 ROA1   Fr= 1--      57.815                 -7.163                 22.831
 CID1   Fr= 1--     158.601                 -1.382                 12.749
 Raman2 Fr= 1--       0.117                  0.658                  0.690
 ROA2   Fr= 1--      14.585                  0.523                  4.523
 CID2   Fr= 1--     125.058                  0.794                  6.558
 Raman3 Fr= 1--       0.233                  1.317                  1.379
 ROA3   Fr= 1--      57.815                 -7.163                 22.831
 CID3   Fr= 1--     247.870                 -5.439                 16.552
 RC180  Fr= 1--       0.280                 -0.492                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.20   0.04    -0.07  -0.07  -0.03     0.07  -0.06   0.00
     2   6    -0.01   0.01  -0.03     0.00   0.11   0.04    -0.01   0.17   0.05
     3   6    -0.00  -0.19  -0.04    -0.07   0.00  -0.00     0.08  -0.04   0.04
     4   6     0.01  -0.01   0.03    -0.03   0.18   0.06     0.10   0.16   0.07
     5   6     0.01   0.18   0.08    -0.06  -0.00   0.01     0.06  -0.02  -0.01
     6   6    -0.04  -0.17  -0.09    -0.06  -0.08  -0.01     0.04  -0.03  -0.05
     7   6    -0.01  -0.02   0.06     0.06   0.09   0.03    -0.11   0.03   0.02
     8   6    -0.01   0.00  -0.02     0.22   0.02  -0.02    -0.07  -0.04  -0.01
     9   6    -0.01  -0.02  -0.01    -0.02  -0.02  -0.05    -0.01  -0.00  -0.02
    10   6     0.01   0.03   0.00    -0.01  -0.05   0.03    -0.00  -0.01   0.01
    11   6     0.01  -0.00   0.00     0.00   0.08   0.03     0.01  -0.02  -0.07
    12   6     0.01  -0.00  -0.02    -0.00  -0.03  -0.06    -0.07  -0.02   0.03
    13   8     0.00  -0.02  -0.01     0.05  -0.17   0.03    -0.00   0.06  -0.01
    14   8    -0.01   0.02  -0.01     0.01  -0.03  -0.07    -0.01  -0.01   0.03
    15   1     0.09   0.41   0.09    -0.12  -0.25  -0.08     0.11  -0.33  -0.15
    16   1    -0.00  -0.40  -0.10    -0.08  -0.14  -0.05     0.05  -0.32  -0.05
    17   1     0.00   0.39   0.17    -0.07  -0.15  -0.05    -0.01  -0.31  -0.07
    18   1    -0.09  -0.37  -0.16    -0.11  -0.26  -0.08     0.05  -0.33  -0.13
    19   1     0.07  -0.18   0.11    -0.00   0.06   0.02    -0.14  -0.01   0.02
    20   1    -0.06   0.07   0.21     0.00   0.06   0.01    -0.17   0.01   0.04
    21   1    -0.01  -0.00  -0.02     0.22   0.01  -0.02    -0.08  -0.09  -0.02
    22   1    -0.01  -0.04  -0.01    -0.11  -0.10  -0.34     0.01   0.02   0.04
    23   1    -0.02  -0.03   0.02    -0.16   0.02   0.15     0.02   0.00  -0.10
    24   1    -0.01  -0.04  -0.04    -0.17  -0.03   0.01     0.03   0.02  -0.00
    25   1     0.02   0.06  -0.00    -0.17  -0.03   0.01     0.03   0.02   0.01
    26   1     0.04   0.00   0.04    -0.18   0.10  -0.08     0.04  -0.06   0.08
    27   1     0.02   0.05  -0.00    -0.05  -0.29   0.22     0.01   0.04  -0.02
    28   1    -0.01   0.02   0.01    -0.01   0.13   0.05     0.02  -0.11  -0.10
    29   6    -0.00   0.01   0.01     0.04   0.09   0.06    -0.08  -0.06  -0.06
    30   1    -0.04   0.01   0.02     0.06  -0.01  -0.12     0.37   0.08   0.04
    31   1    -0.01   0.03   0.01     0.04   0.10   0.06    -0.19  -0.14  -0.11
    32   1     0.00   0.02   0.03     0.04   0.10   0.06    -0.05   0.03   0.07
    33   1    -0.01   0.01  -0.01     0.02   0.08   0.05    -0.17  -0.08  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    585.9070               611.1952               639.8066
 Red. masses --      1.7350                 2.7718                 2.1868
 Frc consts  --      0.3509                 0.6101                 0.5274
 IR Inten    --     53.6677                39.0599                41.5169
 RamAct Fr= 1--      1.5465                 0.9453                 1.5304
  Dep-P Fr= 1--      0.4040                 0.3447                 0.4819
  Dep-U Fr= 1--      0.5755                 0.5127                 0.6504
 Alpha2 Fr= 1--      0.0113                 0.0084                 0.0082
 Beta2  Fr= 1--      0.1483                 0.0808                 0.1659
 AlphaG Fr= 1--     -0.0201                -0.0186                 0.0291
 Gamma2 Fr= 1--      0.0663                 0.1225                -0.5875
 Delta2 Fr= 1--      0.0213                 0.3290                -0.3926
 Raman1 Fr= 1--       6.186                  3.781                  6.121
 ROA1   Fr= 1--       7.048                 22.285                -68.962
 CID1   Fr= 1--       1.139                  5.893                -11.266
 Raman2 Fr= 1--       1.780                  0.969                  1.991
 ROA2   Fr= 1--       1.421                  0.307                -10.958
 CID2   Fr= 1--       0.798                  0.317                 -5.505
 Raman3 Fr= 1--       3.560                  1.939                  3.981
 ROA3   Fr= 1--       7.048                 22.285                -68.962
 CID3   Fr= 1--       1.980                 11.495                -17.321
 RC180  Fr= 1--       0.151                  0.025                  0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04  -0.00    -0.00   0.06  -0.04    -0.05  -0.01   0.00
     2   6     0.04   0.00   0.01     0.06   0.04  -0.02    -0.07  -0.06  -0.05
     3   6     0.00  -0.03  -0.05    -0.02  -0.05  -0.00    -0.03  -0.02   0.11
     4   6    -0.03  -0.00  -0.01    -0.04   0.04   0.05     0.05  -0.10  -0.00
     5   6     0.01  -0.04  -0.01     0.04  -0.07   0.06     0.05   0.00   0.03
     6   6     0.03   0.03   0.03     0.04   0.04   0.01     0.02   0.01  -0.08
     7   6     0.02  -0.05  -0.02     0.04  -0.07  -0.03    -0.05   0.06   0.02
     8   6    -0.07  -0.02   0.00    -0.09  -0.02   0.00     0.07   0.02  -0.00
     9   6    -0.00   0.01   0.01    -0.00   0.01   0.02     0.01  -0.00  -0.02
    10   6    -0.00   0.01  -0.01    -0.01   0.02  -0.01     0.01  -0.01   0.01
    11   6    -0.05   0.03   0.08    -0.08   0.14  -0.08     0.06   0.07  -0.11
    12   6    -0.10  -0.02  -0.03     0.01   0.12   0.03     0.01   0.07   0.03
    13   8     0.02  -0.07   0.01     0.02  -0.07   0.16    -0.03   0.00   0.08
    14   8    -0.05   0.01  -0.05     0.06  -0.08  -0.09    -0.05  -0.06  -0.03
    15   1    -0.01   0.06   0.03    -0.01  -0.00  -0.06     0.06   0.18   0.01
    16   1     0.02  -0.06  -0.05     0.04  -0.17  -0.01    -0.02   0.19   0.17
    17   1     0.05  -0.07  -0.05     0.04  -0.18   0.01    -0.02   0.18   0.15
    18   1     0.02   0.04   0.03    -0.03  -0.01  -0.03     0.05   0.19  -0.02
    19   1     0.02  -0.03  -0.02     0.05  -0.05  -0.03    -0.03   0.07   0.02
    20   1     0.04  -0.05  -0.02     0.04  -0.06  -0.02    -0.05   0.05   0.00
    21   1    -0.06   0.03   0.02    -0.07   0.05   0.03     0.05  -0.06  -0.02
    22   1     0.03   0.05   0.12     0.04   0.06   0.15    -0.03  -0.05  -0.13
    23   1     0.05  -0.01  -0.08     0.07  -0.01  -0.10    -0.06   0.01   0.09
    24   1     0.05   0.02   0.00     0.06   0.02   0.01    -0.05  -0.02  -0.01
    25   1     0.05   0.02  -0.00     0.06   0.03  -0.00    -0.05  -0.03   0.00
    26   1     0.07  -0.05   0.04     0.08  -0.07   0.06    -0.08   0.06  -0.05
    27   1     0.01   0.11  -0.07     0.02   0.14  -0.08    -0.01  -0.13   0.07
    28   1    -0.02   0.08   0.10    -0.14   0.15  -0.09     0.02   0.02  -0.13
    29   6     0.05   0.06   0.06    -0.03  -0.02  -0.03    -0.01  -0.01  -0.02
    30   1     0.84   0.23  -0.05    -0.47  -0.15  -0.50     0.65   0.14  -0.24
    31   1     0.15   0.14   0.10    -0.09  -0.18  -0.10    -0.14  -0.18  -0.10
    32   1     0.02   0.04  -0.06    -0.04  -0.17  -0.01     0.02  -0.03   0.12
    33   1     0.06   0.07  -0.00     0.14   0.04   0.16     0.03   0.01   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2814               713.8231               759.0098
 Red. masses --      5.5491                 3.0614                 4.0402
 Frc consts  --      1.4384                 0.9191                 1.3713
 IR Inten    --      6.2423                19.8792                11.9231
 RamAct Fr= 1--      5.8042                 0.6511                 4.5344
  Dep-P Fr= 1--      0.5659                 0.2152                 0.0205
  Dep-U Fr= 1--      0.7228                 0.3542                 0.0401
 Alpha2 Fr= 1--      0.0202                 0.0085                 0.0960
 Beta2  Fr= 1--      0.6992                 0.0384                 0.0303
 AlphaG Fr= 1--     -0.0454                -0.0035                -0.0369
 Gamma2 Fr= 1--     -0.0633                 0.0127                -0.7165
 Delta2 Fr= 1--      0.0241                 0.1305                -0.0208
 Raman1 Fr= 1--      23.217                  2.605                 18.138
 ROA1   Fr= 1--      -5.308                  5.392                -69.452
 CID1   Fr= 1--      -0.229                  2.070                 -3.829
 Raman2 Fr= 1--       8.391                  0.461                  0.364
 ROA2   Fr= 1--      -1.712                 -0.740                -17.031
 CID2   Fr= 1--      -0.204                 -1.604                -46.785
 Raman3 Fr= 1--      16.781                  0.923                  0.728
 ROA3   Fr= 1--      -5.308                  5.392                -69.452
 CID3   Fr= 1--      -0.316                  5.845                -95.395
 RC180  Fr= 1--       0.446                 -0.292                 -0.920
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27  -0.09   0.15     0.06  -0.07  -0.02    -0.03  -0.07  -0.12
     2   6    -0.02  -0.05   0.08    -0.02   0.03   0.01     0.10   0.20   0.06
     3   6     0.24   0.03  -0.16     0.07   0.03  -0.01    -0.00   0.15  -0.04
     4   6     0.01  -0.00  -0.10    -0.00  -0.09  -0.03    -0.09  -0.18  -0.05
     5   6    -0.24   0.08  -0.13     0.11   0.03  -0.01     0.01   0.10   0.11
     6   6    -0.22  -0.04   0.17     0.10  -0.06  -0.07    -0.01  -0.13   0.05
     7   6    -0.03   0.02   0.04    -0.13   0.15   0.07     0.04   0.04   0.01
     8   6     0.02   0.01  -0.00    -0.03  -0.01  -0.00    -0.09  -0.03  -0.00
     9   6    -0.00  -0.01  -0.01    -0.00  -0.02  -0.07    -0.02  -0.01  -0.04
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.04    -0.01  -0.04   0.03
    11   6     0.01   0.06  -0.07    -0.13  -0.02   0.12     0.00   0.00  -0.00
    12   6     0.00   0.09   0.03    -0.14   0.01  -0.01     0.24   0.06   0.00
    13   8    -0.01  -0.02   0.10     0.05  -0.03   0.05    -0.07  -0.01  -0.01
    14   8    -0.01  -0.03  -0.06     0.04   0.04  -0.08    -0.07  -0.03   0.02
    15   1     0.23  -0.01   0.21     0.12   0.08  -0.01    -0.15  -0.36  -0.15
    16   1     0.14   0.14  -0.17     0.14   0.28   0.09     0.08   0.22   0.01
    17   1    -0.18   0.17  -0.14     0.18   0.29   0.04     0.10   0.19   0.09
    18   1    -0.10   0.00   0.24     0.19   0.07   0.01    -0.12  -0.39  -0.07
    19   1     0.03  -0.11   0.09    -0.15   0.16   0.06    -0.00   0.04  -0.00
    20   1    -0.06   0.09   0.16    -0.13   0.14   0.04     0.01   0.03   0.02
    21   1     0.01  -0.04  -0.01    -0.07  -0.17  -0.05    -0.06   0.05   0.02
    22   1    -0.01  -0.02  -0.04    -0.01  -0.04  -0.10     0.03   0.05   0.10
    23   1    -0.03   0.00   0.03    -0.03  -0.01  -0.06     0.07  -0.03  -0.19
    24   1    -0.02  -0.01  -0.01    -0.01  -0.02  -0.07     0.06   0.01  -0.05
    25   1    -0.02  -0.01   0.01     0.00  -0.06   0.04     0.07  -0.02   0.03
    26   1    -0.02   0.02  -0.01    -0.01  -0.04   0.04     0.10  -0.14   0.11
    27   1    -0.00  -0.05   0.04     0.00  -0.09   0.05     0.02   0.10  -0.06
    28   1    -0.01   0.03  -0.09    -0.09   0.06   0.16    -0.05   0.05   0.00
    29   6    -0.03  -0.03  -0.05    -0.02   0.00   0.02    -0.00  -0.01  -0.01
    30   1     0.17   0.04  -0.33    -0.35  -0.04  -0.18     0.31   0.07   0.04
    31   1    -0.11  -0.16  -0.11     0.21   0.19   0.13     0.03  -0.05  -0.01
    32   1    -0.02  -0.07   0.02    -0.07  -0.09  -0.24    -0.02  -0.11  -0.05
    33   1     0.03  -0.01   0.07     0.05   0.01  -0.12     0.11   0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --    784.9324               821.1100               828.5640
 Red. masses --      3.0882                 3.4242                 2.7460
 Frc consts  --      1.1210                 1.3602                 1.1107
 IR Inten    --      1.9497                 5.4405                 1.3701
 RamAct Fr= 1--     32.5013                 3.6833                 5.4804
  Dep-P Fr= 1--      0.0202                 0.1220                 0.1935
  Dep-U Fr= 1--      0.0397                 0.2174                 0.3242
 Alpha2 Fr= 1--      0.6888                 0.0611                 0.0757
 Beta2  Fr= 1--      0.2149                 0.1335                 0.2961
 AlphaG Fr= 1--      0.0422                -0.0015                 0.0784
 Gamma2 Fr= 1--     -1.5732                -0.6535                 1.2434
 Delta2 Fr= 1--     -0.0160                 0.2195                 0.0726
 Raman1 Fr= 1--     130.005                 14.733                 21.921
 ROA1   Fr= 1--    -151.535                -55.716                121.693
 CID1   Fr= 1--      -1.166                 -3.782                  5.551
 Raman2 Fr= 1--       2.578                  1.602                  3.554
 ROA2   Fr= 1--     -37.628                -17.441                 29.261
 CID2   Fr= 1--     -14.593                -10.889                  8.234
 Raman3 Fr= 1--       5.157                  3.203                  7.107
 ROA3   Fr= 1--    -151.535                -55.716                121.693
 CID3   Fr= 1--     -29.385                -17.393                 17.123
 RC180  Fr= 1--      -0.921                 -0.565                 -0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04  -0.05     0.01   0.07   0.03    -0.05   0.01   0.05
     2   6     0.04  -0.09  -0.04    -0.03  -0.15  -0.04     0.01   0.00   0.00
     3   6    -0.01  -0.04  -0.08     0.01   0.01  -0.02    -0.06   0.02   0.08
     4   6    -0.03   0.11   0.04    -0.00   0.09   0.04     0.04  -0.04  -0.02
     5   6    -0.01  -0.08   0.05     0.03  -0.00  -0.03    -0.06   0.05  -0.04
     6   6    -0.01  -0.00   0.08     0.05   0.07  -0.01    -0.04   0.02  -0.04
     7   6     0.03   0.19   0.06    -0.06   0.04   0.03     0.15   0.04   0.00
     8   6    -0.11   0.01   0.02     0.01   0.03   0.01    -0.07   0.03   0.02
     9   6    -0.01  -0.04  -0.16     0.01   0.00  -0.03    -0.02  -0.02  -0.10
    10   6     0.02  -0.13   0.10     0.02  -0.01   0.02     0.00  -0.08   0.07
    11   6     0.01   0.06  -0.06    -0.06  -0.07   0.14     0.11  -0.13   0.02
    12   6     0.03  -0.05  -0.02     0.28   0.10   0.01    -0.09   0.05   0.04
    13   8    -0.00  -0.00  -0.06    -0.07  -0.03   0.03     0.01   0.03   0.09
    14   8     0.00  -0.03   0.08    -0.07   0.02  -0.06     0.00   0.06  -0.11
    15   1    -0.02   0.35   0.10     0.00  -0.06  -0.02    -0.08  -0.20  -0.02
    16   1     0.06   0.05  -0.02    -0.03  -0.43  -0.16    -0.17  -0.17  -0.02
    17   1     0.05  -0.01   0.04     0.02  -0.34  -0.17    -0.15  -0.06  -0.02
    18   1    -0.06   0.31   0.15     0.09  -0.03  -0.02    -0.06  -0.10  -0.08
    19   1     0.14   0.22   0.08    -0.02   0.11   0.03     0.22   0.10   0.00
    20   1     0.12   0.24   0.08     0.02   0.05  -0.01     0.23   0.08   0.00
    21   1    -0.12  -0.04   0.00    -0.02  -0.10  -0.04    -0.03   0.18   0.06
    22   1     0.03  -0.01  -0.02    -0.02  -0.05  -0.10     0.04   0.02   0.07
    23   1     0.06  -0.07  -0.24    -0.04   0.01   0.07     0.08  -0.06  -0.19
    24   1     0.07  -0.06  -0.23    -0.03  -0.04  -0.06     0.08  -0.05  -0.19
    25   1     0.10  -0.19   0.13    -0.02  -0.06   0.02     0.11  -0.15   0.10
    26   1     0.10  -0.20   0.13    -0.04   0.04  -0.04     0.12  -0.17   0.10
    27   1     0.03  -0.02   0.01    -0.00  -0.09   0.04     0.03   0.07  -0.05
    28   1    -0.02   0.02  -0.09    -0.06   0.08   0.20     0.17  -0.16   0.02
    29   6     0.01   0.03  -0.01    -0.09  -0.09  -0.04     0.03  -0.04   0.00
    30   1     0.03  -0.04   0.21     0.17   0.08  -0.09    -0.05   0.07  -0.28
    31   1    -0.11  -0.12  -0.08     0.16   0.14   0.07    -0.01   0.13   0.05
    32   1     0.04   0.02   0.13    -0.14  -0.15  -0.32     0.06   0.20   0.08
    33   1     0.04   0.04   0.14    -0.03  -0.08  -0.23    -0.23  -0.13  -0.23
                     31                     32                     33
                      A                      A                      A
 Frequencies --    854.5503               855.6650               869.2262
 Red. masses --      1.2587                 3.3831                 1.9374
 Frc consts  --      0.5416                 1.4594                 0.8624
 IR Inten    --      0.1947                 4.2752                27.3025
 RamAct Fr= 1--      1.5882                13.9371                 4.9119
  Dep-P Fr= 1--      0.7495                 0.1320                 0.0401
  Dep-U Fr= 1--      0.8568                 0.2332                 0.0771
 Alpha2 Fr= 1--      0.0000                 0.2255                 0.0993
 Beta2  Fr= 1--      0.2268                 0.5416                 0.0631
 AlphaG Fr= 1--     -0.0014                -0.1201                 0.0343
 Gamma2 Fr= 1--      0.3287                 1.6452                -0.3668
 Delta2 Fr= 1--      0.0790                 0.2366                -0.0669
 Raman1 Fr= 1--       6.353                 55.748                 19.648
 ROA1   Fr= 1--      34.086                165.507                -37.354
 CID1   Fr= 1--       5.366                  2.969                 -1.901
 Raman2 Fr= 1--       2.721                  6.499                  0.757
 ROA2   Fr= 1--       7.258                 37.592                 -8.268
 CID2   Fr= 1--       2.667                  5.784                -10.921
 Raman3 Fr= 1--       5.443                 12.998                  1.514
 ROA3   Fr= 1--      34.086                165.507                -37.354
 CID3   Fr= 1--       6.262                 12.733                -24.670
 RC180  Fr= 1--       0.714                 -0.534                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.05   0.06  -0.15    -0.03  -0.06  -0.02
     2   6    -0.00   0.01   0.00     0.03  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.01  -0.08  -0.02     0.01   0.05  -0.16    -0.02  -0.07  -0.01
     4   6     0.00   0.01   0.01    -0.04   0.01   0.01     0.03   0.12   0.04
     5   6     0.00   0.07   0.01     0.05  -0.05   0.17    -0.02  -0.08  -0.04
     6   6     0.00   0.07   0.01    -0.01  -0.04   0.16    -0.01  -0.07  -0.03
     7   6     0.01  -0.01   0.01    -0.13   0.01   0.02     0.05  -0.03  -0.00
     8   6    -0.00  -0.00   0.00     0.03  -0.02  -0.01    -0.00  -0.04  -0.01
     9   6     0.00  -0.00  -0.00     0.02   0.01   0.05    -0.01  -0.01   0.03
    10   6    -0.00   0.00   0.00     0.01   0.04  -0.04    -0.02   0.02  -0.03
    11   6     0.00  -0.01   0.01     0.14  -0.12  -0.03     0.03  -0.04   0.06
    12   6     0.01   0.01  -0.00    -0.06   0.04   0.04     0.07   0.03   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.03   0.06    -0.02  -0.00   0.02
    14   8    -0.00   0.00  -0.01     0.00   0.05  -0.08    -0.02   0.02  -0.04
    15   1     0.05   0.45   0.16    -0.16   0.11  -0.06     0.01   0.36   0.13
    16   1     0.05   0.51   0.17     0.14  -0.02  -0.13     0.01   0.35   0.12
    17   1    -0.07  -0.45  -0.16     0.15  -0.14   0.06     0.02   0.45   0.15
    18   1    -0.05  -0.43  -0.15    -0.14  -0.01   0.12     0.05   0.49   0.15
    19   1    -0.00   0.03  -0.00    -0.16  -0.00   0.02    -0.03  -0.03  -0.02
    20   1     0.02  -0.03  -0.02    -0.16  -0.01   0.01    -0.01  -0.08  -0.04
    21   1     0.00   0.02  -0.00    -0.02  -0.20  -0.07     0.02   0.07   0.01
    22   1     0.00   0.00  -0.01    -0.03  -0.03  -0.09     0.01   0.04   0.06
    23   1    -0.00  -0.00  -0.00    -0.07   0.04   0.13     0.02  -0.00  -0.06
    24   1     0.00  -0.00  -0.00    -0.06   0.02   0.10     0.02   0.04   0.08
    25   1     0.01  -0.00   0.00    -0.08   0.08  -0.05     0.01   0.09  -0.04
    26   1     0.01  -0.01   0.01    -0.08   0.11  -0.06     0.04  -0.04   0.05
    27   1     0.00   0.02  -0.02    -0.01  -0.08   0.05     0.00   0.09  -0.03
    28   1     0.00  -0.01   0.01     0.20  -0.21  -0.04     0.06  -0.01   0.07
    29   6    -0.00  -0.01  -0.00     0.06  -0.04   0.00    -0.04  -0.06  -0.04
    30   1    -0.00   0.00  -0.01    -0.02   0.06  -0.22     0.03   0.03  -0.05
    31   1     0.00   0.01   0.00    -0.11   0.08   0.01     0.01   0.07   0.02
    32   1    -0.00   0.01  -0.02     0.13   0.28   0.25    -0.03   0.04  -0.06
    33   1    -0.02  -0.02  -0.03    -0.28  -0.14  -0.18    -0.14  -0.10  -0.19
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7205               942.8584               959.9284
 Red. masses --      1.5476                 1.2135                 1.6132
 Frc consts  --      0.7397                 0.6356                 0.8758
 IR Inten    --      0.3037                 0.2999                 0.0102
 RamAct Fr= 1--      1.2080                 0.7008                 5.8399
  Dep-P Fr= 1--      0.5127                 0.5709                 0.7476
  Dep-U Fr= 1--      0.6779                 0.7268                 0.8556
 Alpha2 Fr= 1--      0.0056                 0.0024                 0.0002
 Beta2  Fr= 1--      0.1365                 0.0849                 0.8328
 AlphaG Fr= 1--      0.0031                 0.0028                 0.0045
 Gamma2 Fr= 1--      0.0188                -0.3798                -0.2038
 Delta2 Fr= 1--      0.0777                -0.2681                -1.0885
 Raman1 Fr= 1--       4.832                  2.803                 23.360
 ROA1   Fr= 1--       4.292                -45.035                -54.399
 CID1   Fr= 1--       0.888                -16.066                 -2.329
 Raman2 Fr= 1--       1.638                  1.019                  9.993
 ROA2   Fr= 1--      -0.170                 -6.970                  3.815
 CID2   Fr= 1--      -0.104                 -6.842                  0.382
 Raman3 Fr= 1--       3.275                  2.037                 19.986
 ROA3   Fr= 1--       4.292                -45.035                -54.399
 CID3   Fr= 1--       1.310                -22.104                 -2.722
 RC180  Fr= 1--       0.356                  0.454                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.09   0.02
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.09  -0.05
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.01   0.03   0.01
     5   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     6   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00   0.00   0.02
     7   6     0.02  -0.06   0.17    -0.01   0.02  -0.07    -0.05  -0.09  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.10   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.07
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.07
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.07  -0.52  -0.19
    16   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.08   0.54   0.16
    17   1    -0.06   0.03   0.03     0.03  -0.01  -0.01     0.04   0.16   0.07
    18   1    -0.03   0.02  -0.04     0.01  -0.00   0.02    -0.01  -0.08  -0.01
    19   1    -0.17   0.49  -0.00     0.08  -0.19   0.01    -0.06  -0.07  -0.03
    20   1     0.13  -0.37  -0.34    -0.07   0.14   0.14    -0.05  -0.08  -0.02
    21   1    -0.02   0.07  -0.21    -0.03   0.10  -0.27     0.01   0.11   0.04
    22   1    -0.05  -0.10  -0.33    -0.02   0.05  -0.37    -0.01  -0.08  -0.00
    23   1    -0.11   0.04   0.14    -0.11   0.10  -0.15     0.01  -0.02   0.15
    24   1    -0.13  -0.03   0.01    -0.13   0.18   0.40     0.01  -0.12  -0.28
    25   1     0.13   0.02   0.00     0.19  -0.38   0.17     0.06  -0.25   0.13
    26   1     0.13  -0.11   0.06     0.08   0.02  -0.20    -0.02   0.07  -0.12
    27   1    -0.01   0.28  -0.20    -0.05   0.19  -0.32    -0.01  -0.06  -0.04
    28   1    -0.03  -0.01  -0.02     0.01   0.01   0.01     0.04   0.03   0.02
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.01
    31   1    -0.03  -0.03  -0.02     0.01   0.01   0.01     0.00   0.02   0.00
    32   1     0.01   0.00   0.03    -0.00  -0.00  -0.01    -0.01   0.00  -0.03
    33   1     0.01   0.01   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.3998               973.7083               978.8127
 Red. masses --      1.5415                 1.5742                 1.4959
 Frc consts  --      0.8535                 0.8794                 0.8444
 IR Inten    --      0.1208                 0.0218                 0.0794
 RamAct Fr= 1--      2.2445                 3.2064                 1.6790
  Dep-P Fr= 1--      0.7497                 0.6819                 0.4140
  Dep-U Fr= 1--      0.8569                 0.8109                 0.5856
 Alpha2 Fr= 1--      0.0000                 0.0038                 0.0118
 Beta2  Fr= 1--      0.3206                 0.4333                 0.1639
 AlphaG Fr= 1--      0.0014                 0.0018                 0.0118
 Gamma2 Fr= 1--     -1.8206                -0.3176                 1.2274
 Delta2 Fr= 1--      0.6452                 0.1575                 0.3274
 Raman1 Fr= 1--       8.978                 12.826                  6.716
 ROA1   Fr= 1--    -154.131                -25.453                128.305
 CID1   Fr= 1--     -17.168                 -1.985                 19.104
 Raman2 Fr= 1--       3.847                  5.200                  1.966
 ROA2   Fr= 1--     -48.857                 -8.883                 26.838
 CID2   Fr= 1--     -12.701                 -1.708                 13.648
 Raman3 Fr= 1--       7.693                 10.400                  3.933
 ROA3   Fr= 1--    -154.131                -25.453                128.305
 CID3   Fr= 1--     -20.034                 -2.447                 32.623
 RC180  Fr= 1--       0.714                  0.622                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.09  -0.04    -0.00  -0.01   0.00     0.00  -0.03  -0.01
     2   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.04   0.02
     3   6     0.02   0.07   0.01    -0.00   0.01   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.00  -0.08  -0.01     0.01  -0.00   0.00     0.02   0.09   0.04
     6   6     0.01   0.06   0.03     0.00  -0.00   0.01    -0.01  -0.10  -0.04
     7   6    -0.04  -0.08  -0.02    -0.01   0.01  -0.05    -0.02  -0.07  -0.02
     8   6     0.01   0.08   0.03    -0.01   0.04  -0.10     0.01   0.06   0.03
     9   6    -0.00   0.02  -0.06     0.04   0.09   0.08    -0.00   0.03  -0.05
    10   6     0.02   0.00   0.06    -0.03  -0.13   0.03     0.01   0.00   0.05
    11   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.05   0.49   0.16     0.00   0.05   0.03     0.03   0.18   0.06
    16   1    -0.02  -0.37  -0.13    -0.02  -0.03  -0.01    -0.00  -0.13  -0.05
    17   1     0.06   0.38   0.15     0.02   0.01  -0.00    -0.04  -0.53  -0.19
    18   1    -0.04  -0.36  -0.11     0.00  -0.01   0.01     0.08   0.60   0.19
    19   1    -0.07  -0.08  -0.03     0.01  -0.12  -0.02    -0.08  -0.09  -0.03
    20   1    -0.07  -0.09  -0.02    -0.02   0.09   0.06    -0.08  -0.10  -0.03
    21   1     0.02   0.12   0.07    -0.03   0.14  -0.34     0.03   0.14   0.06
    22   1     0.01  -0.04   0.03    -0.07  -0.15  -0.10     0.00  -0.04   0.04
    23   1     0.02  -0.03   0.07    -0.13   0.08   0.55     0.02  -0.03   0.07
    24   1     0.04  -0.09  -0.22    -0.13  -0.11  -0.09     0.03  -0.08  -0.20
    25   1     0.04  -0.24   0.12     0.13   0.11  -0.01     0.06  -0.19   0.09
    26   1    -0.02   0.08  -0.14     0.22  -0.38   0.33    -0.01   0.05  -0.10
    27   1    -0.01  -0.05  -0.05     0.05   0.18  -0.01    -0.01  -0.01  -0.05
    28   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.04  -0.04  -0.02
    29   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.01
    31   1     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.02  -0.00
    32   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.00   0.03
    33   1     0.00   0.00  -0.01     0.00  -0.00  -0.01     0.02   0.02   0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.9003              1045.4931              1059.8352
 Red. masses --      1.9434                 2.8868                 1.7510
 Frc consts  --      1.1494                 1.8591                 1.1588
 IR Inten    --     26.4558                18.1609                62.6669
 RamAct Fr= 1--      8.0361                 0.5884                 3.6481
  Dep-P Fr= 1--      0.3481                 0.1989                 0.1959
  Dep-U Fr= 1--      0.5164                 0.3318                 0.3276
 Alpha2 Fr= 1--      0.0710                 0.0080                 0.0501
 Beta2  Fr= 1--      0.6917                 0.0325                 0.1992
 AlphaG Fr= 1--      0.1161                 0.0084                 0.0474
 Gamma2 Fr= 1--     -0.2529                -0.0126                -0.5333
 Delta2 Fr= 1--     -0.7223                -0.2160                -0.9718
 Raman1 Fr= 1--      32.144                  2.353                 14.593
 ROA1   Fr= 1--     -47.396                 -8.117                -82.298
 CID1   Fr= 1--      -1.474                 -3.449                 -5.640
 Raman2 Fr= 1--       8.300                  0.390                  2.390
 ROA2   Fr= 1--      -0.291                  1.426                 -5.025
 CID2   Fr= 1--      -0.035                  3.654                 -2.102
 Raman3 Fr= 1--      16.601                  0.781                  4.781
 ROA3   Fr= 1--     -47.396                 -8.117                -82.298
 CID3   Fr= 1--      -2.855                -10.396                -17.214
 RC180  Fr= 1--       0.033                 -0.336                 -0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.03    -0.06   0.07  -0.19     0.02   0.01  -0.03
     2   6    -0.00   0.00  -0.01     0.03  -0.01  -0.01     0.02  -0.00   0.01
     3   6     0.00   0.02   0.01    -0.01  -0.06   0.18    -0.01  -0.02   0.05
     4   6     0.05  -0.04  -0.03     0.06  -0.00  -0.01    -0.06  -0.01   0.02
     5   6     0.00   0.02   0.04    -0.04   0.06  -0.17    -0.02   0.03  -0.08
     6   6    -0.04  -0.02   0.04    -0.02  -0.07   0.20     0.02  -0.01   0.01
     7   6     0.01  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
     8   6     0.00  -0.01   0.01    -0.00   0.01   0.00    -0.01   0.00  -0.01
     9   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.01
    11   6     0.10   0.14   0.01     0.02  -0.00   0.03    -0.07  -0.00  -0.04
    12   6    -0.07   0.02  -0.06    -0.01  -0.04   0.03     0.01   0.08  -0.07
    13   8     0.02  -0.02  -0.02     0.00   0.01   0.01    -0.00  -0.01  -0.01
    14   8     0.02  -0.04   0.08    -0.00   0.02  -0.05     0.00  -0.04   0.10
    15   1    -0.01   0.04  -0.02     0.18   0.11  -0.36     0.11   0.02  -0.09
    16   1    -0.03  -0.09  -0.03     0.27  -0.13   0.28     0.11  -0.05   0.10
    17   1    -0.03  -0.15  -0.00     0.18   0.06  -0.34     0.10   0.07  -0.16
    18   1    -0.09   0.06   0.05     0.25  -0.11   0.31     0.17  -0.05   0.06
    19   1     0.02   0.03   0.00    -0.04  -0.01  -0.00    -0.04  -0.01  -0.00
    20   1    -0.01  -0.03  -0.01    -0.04  -0.01   0.00     0.02   0.01  -0.00
    21   1     0.01   0.01   0.02    -0.01  -0.02  -0.00    -0.01  -0.03  -0.02
    22   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    23   1     0.01  -0.00  -0.01    -0.00   0.00   0.02    -0.01   0.00   0.02
    24   1     0.00  -0.00  -0.01    -0.00  -0.01  -0.02    -0.01  -0.00   0.00
    25   1    -0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.00  -0.03   0.01
    26   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.02  -0.02
    27   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.03   0.00
    28   1     0.36   0.51   0.19     0.04  -0.12  -0.01    -0.31   0.24  -0.00
    29   6    -0.09  -0.10  -0.02    -0.05   0.04  -0.02     0.11  -0.06   0.03
    30   1     0.02  -0.02  -0.04    -0.00  -0.00   0.09     0.01   0.00  -0.19
    31   1     0.19   0.23   0.13     0.03  -0.12  -0.05    -0.13   0.20   0.07
    32   1    -0.15  -0.06  -0.38    -0.08  -0.19  -0.10     0.19   0.41   0.30
    33   1    -0.09  -0.12  -0.38     0.17   0.10   0.17    -0.37  -0.21  -0.29
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1087.9393              1107.8531              1110.1956
 Red. masses --      1.9619                 1.9696                 1.4937
 Frc consts  --      1.3682                 1.4242                 1.0847
 IR Inten    --      2.1936                 4.3877                 1.0484
 RamAct Fr= 1--      4.1331                 6.5614                 3.6946
  Dep-P Fr= 1--      0.6567                 0.2095                 0.2943
  Dep-U Fr= 1--      0.7928                 0.3464                 0.4548
 Alpha2 Fr= 1--      0.0069                 0.0869                 0.0385
 Beta2  Fr= 1--      0.5461                 0.3789                 0.2801
 AlphaG Fr= 1--     -0.0304                -0.0838                 0.0150
 Gamma2 Fr= 1--      1.2437                -2.5995                 0.9367
 Delta2 Fr= 1--      1.3969                -0.3473                 0.5583
 Raman1 Fr= 1--      16.532                 26.246                 14.778
 ROA1   Fr= 1--     164.098               -260.671                107.787
 CID1   Fr= 1--       9.926                 -9.932                  7.294
 Raman2 Fr= 1--       6.553                  4.546                  3.361
 ROA2   Fr= 1--      18.674                -59.610                 18.014
 CID2   Fr= 1--       2.850                -13.112                  5.360
 Raman3 Fr= 1--      13.107                  9.093                  6.721
 ROA3   Fr= 1--     164.098               -260.671                107.787
 CID3   Fr= 1--      12.520                -28.668                 16.036
 RC180  Fr= 1--       0.586                 -0.307                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05    -0.01  -0.01   0.03    -0.01   0.02  -0.00
     2   6     0.01  -0.02   0.07     0.01   0.02  -0.02    -0.07  -0.04  -0.01
     3   6     0.03   0.02  -0.05    -0.02   0.01  -0.00     0.02   0.01  -0.02
     4   6     0.02  -0.05   0.04    -0.01  -0.03   0.00     0.00  -0.01   0.00
     5   6    -0.03   0.02  -0.02     0.01   0.01  -0.01     0.03  -0.01   0.01
     6   6     0.02   0.01  -0.06     0.02  -0.01   0.01     0.00   0.01   0.02
     7   6     0.01  -0.01   0.04    -0.00   0.01  -0.06    -0.02   0.04   0.00
     8   6    -0.01   0.04  -0.12    -0.02  -0.04   0.11     0.14   0.02   0.01
     9   6    -0.03  -0.02   0.06     0.04   0.03  -0.05    -0.06  -0.03  -0.01
    10   6     0.04  -0.02   0.05    -0.03   0.02  -0.04    -0.08  -0.03  -0.02
    11   6     0.05   0.07   0.13     0.04   0.08   0.17    -0.01   0.01   0.03
    12   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.01    -0.00   0.00  -0.01
    13   8     0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1    -0.18  -0.01   0.04    -0.09  -0.00   0.10     0.02  -0.04  -0.05
    16   1     0.18  -0.06  -0.01    -0.10  -0.02  -0.05     0.05  -0.01  -0.02
    17   1    -0.21  -0.05   0.08     0.06  -0.01  -0.06     0.06  -0.00  -0.01
    18   1     0.12   0.01  -0.01     0.08  -0.02   0.04     0.08  -0.08   0.03
    19   1    -0.42  -0.08  -0.03     0.41   0.04   0.02    -0.16  -0.10   0.01
    20   1     0.42   0.12  -0.05    -0.31  -0.03   0.08    -0.27  -0.10  -0.01
    21   1    -0.02   0.06  -0.17    -0.03  -0.16   0.14     0.26   0.48   0.17
    22   1     0.01   0.10   0.12    -0.02  -0.12  -0.16     0.04   0.14   0.22
    23   1     0.01   0.01  -0.12    -0.04   0.02   0.17     0.13  -0.09  -0.29
    24   1     0.03   0.09   0.17    -0.06  -0.09  -0.15     0.15   0.06   0.01
    25   1    -0.00  -0.17   0.08    -0.02   0.13  -0.06     0.15   0.11  -0.02
    26   1    -0.03   0.07  -0.09    -0.00  -0.01   0.05     0.19  -0.26   0.17
    27   1     0.00  -0.16   0.04    -0.01   0.09  -0.01     0.01   0.29  -0.10
    28   1    -0.13   0.07   0.09    -0.15   0.05   0.12    -0.06   0.01   0.02
    29   6    -0.00  -0.02  -0.10     0.02  -0.02  -0.13     0.01  -0.00  -0.02
    30   1     0.00  -0.01   0.07     0.00  -0.02   0.12    -0.00  -0.00   0.00
    31   1    -0.24  -0.21  -0.21    -0.33  -0.24  -0.26    -0.06  -0.03  -0.04
    32   1     0.04   0.00   0.15     0.09   0.06   0.26     0.02   0.02   0.06
    33   1    -0.08  -0.03   0.08    -0.16  -0.06   0.10    -0.03  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1151.4873              1187.0860              1203.3838
 Red. masses --      1.4078                 2.0614                 2.0079
 Frc consts  --      1.0998                 1.7115                 1.7132
 IR Inten    --      0.3798               139.2710                 2.0065
 RamAct Fr= 1--      1.9817                 6.5217                 8.0623
  Dep-P Fr= 1--      0.3512                 0.2578                 0.2253
  Dep-U Fr= 1--      0.5198                 0.4099                 0.3678
 Alpha2 Fr= 1--      0.0173                 0.0756                 0.1023
 Beta2  Fr= 1--      0.1717                 0.4456                 0.4942
 AlphaG Fr= 1--     -0.0197                -0.0707                 0.0260
 Gamma2 Fr= 1--     -3.0130                 0.8774                -0.1487
 Delta2 Fr= 1--     -1.4332                 0.4311                -0.7395
 Raman1 Fr= 1--       7.927                 26.087                 32.249
 ROA1   Fr= 1--    -335.109                 98.031                -37.945
 CID1   Fr= 1--     -42.275                  3.758                 -1.177
 Raman2 Fr= 1--       2.060                  5.347                  5.930
 ROA2   Fr= 1--     -60.846                 17.610                  2.346
 CID2   Fr= 1--     -29.535                  3.294                  0.396
 Raman3 Fr= 1--       4.120                 10.693                 11.860
 ROA3   Fr= 1--    -335.109                 98.031                -37.945
 CID3   Fr= 1--     -81.332                  9.167                 -3.199
 RC180  Fr= 1--       0.040                 -0.180                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.01     0.01  -0.01   0.02    -0.02  -0.00  -0.01
     2   6     0.00   0.01  -0.02     0.02  -0.01  -0.01    -0.07   0.03   0.01
     3   6    -0.07   0.00   0.03     0.01  -0.01   0.02     0.02   0.00  -0.02
     4   6    -0.03   0.00  -0.03    -0.09  -0.01  -0.01     0.02  -0.00  -0.00
     5   6     0.07  -0.01   0.01    -0.04   0.01   0.00     0.03  -0.01   0.01
     6   6    -0.06   0.00   0.02     0.04   0.01  -0.03    -0.02  -0.01   0.01
     7   6    -0.00  -0.01   0.04    -0.01   0.01   0.00    -0.01  -0.07  -0.02
     8   6     0.00   0.02  -0.05     0.01  -0.00  -0.00    -0.09   0.18   0.07
     9   6    -0.02  -0.01   0.02    -0.01   0.00   0.00     0.07  -0.10  -0.01
    10   6     0.02  -0.00   0.02    -0.01   0.00   0.00     0.07  -0.08  -0.07
    11   6     0.01   0.03   0.05    -0.03   0.12  -0.07    -0.02   0.01  -0.00
    12   6     0.00  -0.02   0.01     0.04  -0.10   0.10     0.01  -0.01   0.01
    13   8     0.00   0.00   0.01    -0.01   0.04   0.05    -0.00   0.00   0.01
    14   8    -0.00   0.00  -0.03     0.00  -0.00  -0.14     0.00  -0.00  -0.01
    15   1     0.45   0.03  -0.24    -0.04  -0.02   0.06     0.05   0.03  -0.05
    16   1    -0.41   0.06  -0.10     0.25  -0.09   0.12     0.03   0.00  -0.02
    17   1     0.40   0.03  -0.22    -0.07  -0.03   0.00     0.05  -0.00  -0.00
    18   1    -0.43   0.08  -0.13     0.12  -0.02   0.00     0.05  -0.00   0.05
    19   1    -0.13   0.04   0.00    -0.03  -0.01   0.00     0.08   0.03  -0.02
    20   1     0.10  -0.03  -0.05    -0.03  -0.01  -0.00     0.08   0.01   0.02
    21   1    -0.00   0.04  -0.09     0.01  -0.01  -0.00    -0.04   0.35   0.12
    22   1     0.01   0.04   0.06     0.00   0.00   0.03     0.02   0.08  -0.39
    23   1     0.01  -0.01  -0.05     0.01  -0.01  -0.00    -0.14   0.11  -0.20
    24   1     0.02   0.03   0.05     0.01  -0.00  -0.01    -0.10   0.11   0.33
    25   1    -0.00  -0.06   0.03     0.01  -0.01   0.01    -0.16   0.28  -0.16
    26   1    -0.01   0.02  -0.02     0.01  -0.01  -0.01    -0.09  -0.05   0.25
    27   1     0.00  -0.05   0.01    -0.00   0.02  -0.02     0.10  -0.18   0.35
    28   1     0.03   0.00   0.04     0.19   0.13  -0.02    -0.05   0.02  -0.01
    29   6     0.01  -0.01  -0.04     0.03  -0.07   0.01     0.01  -0.01   0.00
    30   1     0.00  -0.02   0.13     0.02  -0.11   0.75     0.00  -0.01   0.08
    31   1    -0.09  -0.04  -0.06    -0.01   0.19   0.09    -0.01   0.02   0.01
    32   1     0.04   0.04   0.09     0.05   0.22   0.02     0.01   0.03   0.01
    33   1    -0.06  -0.03   0.01    -0.14  -0.12  -0.19    -0.03  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1214.7137              1223.2043              1237.4072
 Red. masses --      1.3546                 1.9418                 2.4938
 Frc consts  --      1.1776                 1.7118                 2.2498
 IR Inten    --      4.8896                 8.7669                 3.8402
 RamAct Fr= 1--     42.4937                29.4635                34.5441
  Dep-P Fr= 1--      0.1080                 0.1815                 0.1603
  Dep-U Fr= 1--      0.1950                 0.3072                 0.2763
 Alpha2 Fr= 1--      0.7295                 0.4201                 0.5202
 Beta2  Fr= 1--      1.3809                 1.5086                 1.5909
 AlphaG Fr= 1--      0.0634                 0.1120                -0.0766
 Gamma2 Fr= 1--     -8.2524                 0.7567                 1.2634
 Delta2 Fr= 1--     -0.6280                 0.5082                 0.2566
 Raman1 Fr= 1--     169.975                117.854                138.177
 ROA1   Fr= 1--    -812.329                 88.903                129.502
 CID1   Fr= 1--      -4.779                  0.754                  0.937
 Raman2 Fr= 1--      16.571                 18.103                 19.091
 ROA2   Fr= 1--    -193.035                 14.094                 28.270
 CID2   Fr= 1--     -11.649                  0.779                  1.481
 Raman3 Fr= 1--      33.142                 36.207                 38.182
 ROA3   Fr= 1--    -812.329                 88.903                129.502
 CID3   Fr= 1--     -24.511                  2.455                  3.392
 RC180  Fr= 1--      -0.610                 -0.386                 -0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.05   0.00  -0.03
     2   6     0.04  -0.00  -0.01    -0.03  -0.00   0.01     0.29  -0.04  -0.02
     3   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     4   6    -0.12   0.01   0.00     0.20  -0.03  -0.00     0.06  -0.01   0.02
     5   6     0.01   0.01  -0.03     0.08   0.00  -0.03    -0.07   0.03  -0.06
     6   6    -0.01   0.02  -0.04    -0.10   0.00   0.03     0.03  -0.00  -0.01
     7   6    -0.02  -0.00   0.00     0.02   0.01  -0.00    -0.12   0.01   0.00
     8   6     0.00   0.03   0.01     0.00  -0.03  -0.00     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.06  -0.02   0.01    -0.10   0.01  -0.01     0.00  -0.00  -0.01
    12   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.00  -0.01   0.00
    13   8     0.00  -0.01  -0.01    -0.01   0.01   0.02    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.02     0.00  -0.01  -0.03     0.00   0.00  -0.00
    15   1    -0.28  -0.05   0.25    -0.44  -0.03   0.23    -0.22  -0.03   0.18
    16   1     0.50  -0.13   0.24     0.09  -0.01  -0.02    -0.40   0.07  -0.07
    17   1     0.38   0.07  -0.30     0.25   0.02  -0.14    -0.33  -0.01   0.12
    18   1    -0.33   0.10  -0.18    -0.53   0.10  -0.13    -0.28   0.08  -0.14
    19   1    -0.04   0.00  -0.00     0.02   0.00  -0.00    -0.43  -0.16  -0.02
    20   1    -0.05  -0.01   0.01     0.05   0.03   0.01    -0.27  -0.03   0.04
    21   1     0.00   0.04   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.10
    22   1     0.00   0.02  -0.02    -0.00  -0.02   0.03     0.01   0.04  -0.09
    23   1    -0.00   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.01  -0.10
    24   1     0.00   0.02   0.03    -0.00  -0.02  -0.04     0.01   0.02   0.05
    25   1    -0.00   0.03  -0.01     0.01  -0.03   0.01     0.01   0.09  -0.04
    26   1     0.00  -0.02   0.04     0.01   0.01  -0.02     0.02  -0.09   0.11
    27   1     0.01  -0.00   0.03    -0.01   0.02  -0.04     0.02   0.06   0.06
    28   1     0.23  -0.07   0.02    -0.42   0.12  -0.04    -0.15   0.05  -0.02
    29   6    -0.02   0.01  -0.02     0.02  -0.01   0.03    -0.00  -0.00   0.01
    30   1     0.00   0.02  -0.14     0.00  -0.03   0.19    -0.00  -0.00  -0.00
    31   1     0.02  -0.05  -0.03    -0.02   0.08   0.05     0.01   0.01   0.02
    32   1    -0.01  -0.05   0.01     0.02   0.06   0.01    -0.01  -0.01  -0.04
    33   1     0.05   0.03   0.05    -0.07  -0.04  -0.06     0.00  -0.00  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1245.0210              1298.0220              1309.7962
 Red. masses --      1.3681                 1.9833                 1.5293
 Frc consts  --      1.2495                 1.9688                 1.5458
 IR Inten    --      1.1714                 0.7916                 8.6218
 RamAct Fr= 1--      5.9874                 3.9779                31.4212
  Dep-P Fr= 1--      0.7328                 0.2032                 0.2823
  Dep-U Fr= 1--      0.8458                 0.3378                 0.4403
 Alpha2 Fr= 1--      0.0018                 0.0536                 0.3396
 Beta2  Fr= 1--      0.8440                 0.2239                 2.3056
 AlphaG Fr= 1--     -0.0212                 0.0283                -0.1501
 Gamma2 Fr= 1--      1.3392                 0.3780                 0.1492
 Delta2 Fr= 1--      0.6799                -0.2803                 0.1270
 Raman1 Fr= 1--      23.950                 15.911                125.685
 ROA1   Fr= 1--     150.324                 27.321                 18.391
 CID1   Fr= 1--       6.277                  1.717                  0.146
 Raman2 Fr= 1--      10.129                  2.687                 27.667
 ROA2   Fr= 1--      26.703                 11.314                  2.565
 CID2   Fr= 1--       2.636                  4.211                  0.093
 Raman3 Fr= 1--      20.257                  5.374                 55.334
 ROA3   Fr= 1--     150.324                 27.321                 18.391
 CID3   Fr= 1--       7.421                  5.084                  0.332
 RC180  Fr= 1--       0.692                 -0.324                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03     0.06   0.00  -0.03     0.01   0.00   0.00
     2   6    -0.02  -0.02   0.08    -0.01  -0.01   0.04    -0.01  -0.03  -0.01
     3   6    -0.02   0.01  -0.02    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.03    -0.06  -0.03   0.17    -0.01  -0.00   0.01
     5   6     0.02   0.00  -0.01     0.02   0.01  -0.04     0.00   0.00  -0.00
     6   6    -0.02   0.02  -0.03    -0.04   0.02  -0.05     0.00   0.01  -0.00
     7   6     0.01   0.01  -0.04    -0.00  -0.00  -0.01     0.10   0.09   0.02
     8   6     0.01  -0.04   0.09     0.01   0.00  -0.00    -0.10  -0.10  -0.02
     9   6     0.05   0.02  -0.03    -0.01  -0.00   0.00     0.06   0.03   0.00
    10   6    -0.05   0.00  -0.02     0.01  -0.00   0.00     0.06   0.03   0.00
    11   6     0.02  -0.00  -0.01     0.15  -0.05  -0.05     0.01  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00  -0.00
    13   8     0.00   0.00   0.00     0.00   0.02   0.04     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    15   1     0.16   0.03  -0.13    -0.11  -0.02   0.09    -0.02  -0.03   0.01
    16   1     0.08  -0.01   0.01    -0.17   0.07  -0.10    -0.00  -0.00  -0.00
    17   1     0.03   0.00  -0.02     0.27   0.05  -0.22     0.02  -0.00  -0.01
    18   1    -0.07   0.02  -0.06     0.28  -0.06   0.08     0.00  -0.02  -0.01
    19   1    -0.37  -0.31  -0.05     0.18   0.08   0.01    -0.41  -0.27  -0.01
    20   1     0.46   0.32   0.08    -0.09  -0.04   0.00    -0.43  -0.25  -0.09
    21   1     0.05  -0.15   0.45    -0.01   0.02  -0.12     0.06   0.51   0.17
    22   1    -0.01  -0.11  -0.16     0.00   0.02   0.04    -0.02  -0.13  -0.13
    23   1    -0.02   0.02   0.11     0.01  -0.01  -0.02    -0.05   0.06   0.12
    24   1    -0.05  -0.06  -0.07     0.02   0.01  -0.00    -0.14  -0.07  -0.03
    25   1     0.04   0.08  -0.03    -0.00   0.00  -0.00    -0.14  -0.08   0.00
    26   1     0.03  -0.07   0.05    -0.01   0.01  -0.01    -0.07   0.12  -0.05
    27   1    -0.01   0.18  -0.07     0.00  -0.01   0.01    -0.00  -0.18   0.02
    28   1     0.02   0.01  -0.01    -0.57   0.31  -0.07    -0.02   0.01  -0.00
    29   6    -0.01   0.00   0.00    -0.06   0.01   0.03    -0.00   0.00   0.00
    30   1     0.00  -0.00   0.01     0.02  -0.04   0.22     0.00  -0.00   0.02
    31   1     0.02   0.01   0.01     0.18  -0.01   0.06     0.01  -0.00   0.00
    32   1    -0.01  -0.01  -0.02    -0.08  -0.09  -0.11    -0.00  -0.01  -0.00
    33   1     0.02   0.01  -0.00     0.15   0.06  -0.05     0.01   0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1341.0183              1346.2913              1353.3582
 Red. masses --      1.8195                 1.6865                 1.8595
 Frc consts  --      1.9278                 1.8010                 2.0067
 IR Inten    --      4.3376                18.1381                11.3203
 RamAct Fr= 1--      8.2902                 2.5782                 2.5008
  Dep-P Fr= 1--      0.6278                 0.7224                 0.5664
  Dep-U Fr= 1--      0.7713                 0.8388                 0.7232
 Alpha2 Fr= 1--      0.0184                 0.0012                 0.0087
 Beta2  Fr= 1--      1.0658                 0.3604                 0.3014
 AlphaG Fr= 1--      0.0842                 0.0058                -0.0041
 Gamma2 Fr= 1--     -1.0568                 4.4839                -0.8489
 Delta2 Fr= 1--      0.0667                 2.9322                -0.8599
 Raman1 Fr= 1--      33.161                 10.313                 10.003
 ROA1   Fr= 1--     -99.319                524.288               -109.014
 CID1   Fr= 1--      -2.995                 50.838                -10.898
 Raman2 Fr= 1--      12.789                  4.325                  3.617
 ROA2   Fr= 1--     -25.897                 84.157                -13.495
 CID2   Fr= 1--      -2.025                 19.457                 -3.731
 Raman3 Fr= 1--      25.578                  8.650                  7.234
 ROA3   Fr= 1--     -99.319                524.288               -109.014
 CID3   Fr= 1--      -3.883                 60.609                -15.070
 RC180  Fr= 1--       0.543                  0.678                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.03     0.03   0.00  -0.02     0.03   0.01  -0.03
     2   6    -0.00   0.02  -0.05     0.00  -0.03   0.07     0.02  -0.05   0.13
     3   6     0.04  -0.02   0.02    -0.05   0.01  -0.02    -0.08   0.02  -0.03
     4   6    -0.00   0.04  -0.06     0.01  -0.01   0.02     0.01  -0.01   0.02
     5   6    -0.04  -0.01   0.03     0.05   0.01  -0.03     0.07   0.01  -0.05
     6   6     0.05  -0.01   0.02    -0.04   0.01  -0.01    -0.05   0.01  -0.02
     7   6     0.00  -0.00   0.01     0.00   0.01  -0.02    -0.01   0.01  -0.03
     8   6    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.06
     9   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    10   6    -0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.00  -0.02
    11   6    -0.01  -0.16  -0.02    -0.04  -0.04  -0.04    -0.02  -0.03   0.01
    12   6    -0.02   0.08  -0.08     0.03  -0.14   0.11    -0.02   0.11  -0.09
    13   8    -0.01   0.02   0.06    -0.00   0.02  -0.02    -0.00  -0.01   0.03
    14   8     0.01  -0.04  -0.01    -0.01   0.05  -0.00     0.01  -0.04   0.00
    15   1     0.05   0.00  -0.03     0.07   0.01  -0.05     0.18   0.03  -0.13
    16   1    -0.02   0.03   0.01     0.16  -0.03   0.07     0.30  -0.08   0.12
    17   1    -0.01   0.01   0.01    -0.14  -0.03   0.10    -0.30  -0.03   0.22
    18   1    -0.06   0.01  -0.02    -0.08   0.02  -0.03    -0.21   0.05  -0.08
    19   1    -0.09  -0.02  -0.01     0.11   0.02   0.01     0.17   0.00   0.01
    20   1     0.08   0.02  -0.01    -0.11  -0.03   0.02    -0.17  -0.02   0.04
    21   1     0.01  -0.05   0.12    -0.02   0.07  -0.19    -0.05   0.15  -0.42
    22   1     0.00   0.00  -0.02    -0.01  -0.00   0.02    -0.02  -0.01   0.05
    23   1    -0.01   0.01   0.01     0.02  -0.02  -0.02     0.06  -0.04  -0.04
    24   1    -0.01   0.00   0.02     0.02  -0.01  -0.03     0.04  -0.02  -0.07
    25   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.05   0.05  -0.04
    26   1     0.02  -0.02   0.00    -0.02   0.02   0.00    -0.06   0.05   0.01
    27   1    -0.01   0.01  -0.01     0.01  -0.02   0.02     0.03  -0.02   0.04
    28   1     0.09   0.70   0.32     0.17   0.65   0.27     0.22  -0.21  -0.01
    29   6     0.01   0.07  -0.03     0.01   0.02  -0.04     0.01   0.02   0.02
    30   1     0.02  -0.08   0.41    -0.02   0.09  -0.45     0.02  -0.08   0.39
    31   1    -0.02  -0.19  -0.13    -0.04   0.01  -0.05    -0.05  -0.10  -0.04
    32   1     0.03  -0.14   0.13     0.05   0.03   0.13    -0.01  -0.07  -0.06
    33   1     0.01   0.07   0.11     0.03   0.03   0.16    -0.06  -0.01  -0.07
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1373.0692              1376.3822              1388.2120
 Red. masses --      1.6401                 1.3097                 1.3529
 Frc consts  --      1.8219                 1.4618                 1.5361
 IR Inten    --      2.0774                 0.1282                 8.3501
 RamAct Fr= 1--      1.0721                 1.7191                10.9309
  Dep-P Fr= 1--      0.4742                 0.6369                 0.3725
  Dep-U Fr= 1--      0.6434                 0.7782                 0.5428
 Alpha2 Fr= 1--      0.0059                 0.0035                 0.0891
 Beta2  Fr= 1--      0.1150                 0.2230                 0.9888
 AlphaG Fr= 1--      0.0243                -0.0113                -0.0139
 Gamma2 Fr= 1--      0.1443                 1.3659                 0.1663
 Delta2 Fr= 1--     -0.0969                 0.9239                 0.0607
 Raman1 Fr= 1--       4.288                  6.877                 43.724
 ROA1   Fr= 1--      10.750                160.695                 17.912
 CID1   Fr= 1--       2.507                 23.368                  0.410
 Raman2 Fr= 1--       1.379                  2.676                 11.866
 ROA2   Fr= 1--       4.237                 25.391                  3.507
 CID2   Fr= 1--       3.072                  9.490                  0.296
 Raman3 Fr= 1--       2.759                  5.351                 23.731
 ROA3   Fr= 1--      10.750                160.695                 17.912
 CID3   Fr= 1--       3.896                 30.031                  0.755
 RC180  Fr= 1--       0.287                  0.556                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.01  -0.05    -0.03  -0.00   0.02     0.01   0.00  -0.01
     2   6     0.00  -0.01   0.02     0.00  -0.02   0.05     0.04   0.01  -0.00
     3   6    -0.05   0.01  -0.00    -0.03   0.01  -0.02    -0.01  -0.00   0.01
     4   6     0.03  -0.03   0.08    -0.02   0.02  -0.04    -0.00   0.00   0.00
     5   6     0.05   0.00  -0.02     0.02   0.00  -0.02    -0.01   0.00  -0.01
     6   6    -0.09   0.02  -0.02     0.04  -0.01   0.01     0.01  -0.00   0.01
     7   6     0.00  -0.01   0.02    -0.00  -0.00   0.00    -0.12  -0.03   0.00
     8   6    -0.01   0.04  -0.11    -0.01   0.03  -0.10    -0.00  -0.10  -0.03
     9   6     0.03  -0.02   0.01     0.03  -0.02  -0.00     0.02   0.01  -0.02
    10   6    -0.03   0.01   0.02    -0.03   0.02   0.02     0.03  -0.01   0.02
    11   6    -0.08  -0.01  -0.01     0.05   0.00   0.01    -0.00  -0.00  -0.00
    12   6     0.00   0.03  -0.03    -0.00  -0.01   0.01     0.00  -0.00   0.00
    13   8    -0.00  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.24  -0.04   0.18     0.26   0.03  -0.18    -0.06  -0.00   0.04
    16   1    -0.11   0.02  -0.02     0.28  -0.07   0.10    -0.05   0.01  -0.00
    17   1     0.06   0.01  -0.02    -0.23  -0.03   0.15    -0.04  -0.00   0.01
    18   1     0.25  -0.06   0.11    -0.27   0.07  -0.11    -0.05   0.02  -0.02
    19   1     0.12   0.11   0.01     0.22   0.13   0.02     0.27   0.31   0.01
    20   1    -0.13  -0.10  -0.03    -0.20  -0.11  -0.02     0.29   0.28   0.13
    21   1     0.05  -0.18   0.50     0.05  -0.14   0.45     0.20   0.64   0.20
    22   1     0.04   0.05  -0.01     0.05   0.06   0.02     0.02  -0.07   0.09
    23   1    -0.10   0.06   0.06    -0.10   0.05   0.10    -0.02  -0.01   0.16
    24   1    -0.06   0.04   0.12    -0.05   0.06   0.14    -0.08   0.05   0.09
    25   1     0.08  -0.11   0.06     0.07  -0.13   0.06    -0.09   0.10  -0.03
    26   1     0.10  -0.08  -0.00     0.12  -0.09   0.02    -0.06   0.09  -0.13
    27   1    -0.04  -0.03  -0.03    -0.05  -0.07  -0.01     0.00   0.01  -0.12
    28   1     0.54  -0.06   0.10    -0.38   0.02  -0.07     0.01   0.00   0.00
    29   6     0.02   0.01  -0.01    -0.01  -0.01   0.02     0.00   0.00   0.00
    30   1     0.00  -0.02   0.08    -0.00   0.00  -0.02    -0.00  -0.00   0.00
    31   1    -0.07  -0.03  -0.04     0.03  -0.01   0.02    -0.01  -0.01  -0.00
    32   1     0.03  -0.02   0.03    -0.02  -0.01  -0.06    -0.00  -0.00  -0.01
    33   1    -0.06  -0.00   0.04     0.03  -0.00  -0.06    -0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.5889              1417.9679              1425.2925
 Red. masses --      1.2774                 1.2304                 1.2480
 Frc consts  --      1.4870                 1.4576                 1.4937
 IR Inten    --      8.3453                 3.4588                 7.7220
 RamAct Fr= 1--      1.3841                 1.2787                 1.2064
  Dep-P Fr= 1--      0.2778                 0.5641                 0.6015
  Dep-U Fr= 1--      0.4348                 0.7213                 0.7512
 Alpha2 Fr= 1--      0.0152                 0.0045                 0.0033
 Beta2  Fr= 1--      0.1003                 0.1537                 0.1510
 AlphaG Fr= 1--     -0.0108                -0.0062                 0.0061
 Gamma2 Fr= 1--     -0.0117                -0.0321                 0.5899
 Delta2 Fr= 1--      0.2200                 0.0279                 0.1251
 Raman1 Fr= 1--       5.536                  5.115                  4.826
 ROA1   Fr= 1--       5.919                 -2.188                 60.637
 CID1   Fr= 1--       1.069                 -0.428                 12.566
 Raman2 Fr= 1--       1.204                  1.845                  1.812
 ROA2   Fr= 1--      -2.041                 -0.994                 13.158
 CID2   Fr= 1--      -1.696                 -0.539                  7.260
 Raman3 Fr= 1--       2.407                  3.690                  3.625
 ROA3   Fr= 1--       5.919                 -2.188                 60.637
 CID3   Fr= 1--       2.459                 -0.593                 16.728
 RC180  Fr= 1--      -0.130                  0.443                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.01   0.02    -0.01  -0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.00   0.00     0.00   0.00  -0.01     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.01  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    15   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    16   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    17   1     0.03   0.00  -0.03    -0.05  -0.01   0.02     0.01   0.00  -0.00
    18   1     0.02  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.01   0.00
    19   1    -0.05  -0.05  -0.01     0.03   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.03  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.01   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1     0.12   0.03   0.39    -0.00   0.00  -0.01     0.14   0.11   0.37
    23   1    -0.09  -0.07   0.37    -0.00   0.00  -0.01    -0.16  -0.02   0.36
    24   1    -0.06   0.24   0.28     0.00  -0.01  -0.00    -0.07   0.23   0.29
    25   1     0.10  -0.36   0.06    -0.00   0.01  -0.00    -0.10   0.35  -0.07
    26   1     0.17  -0.17   0.31    -0.00   0.00  -0.01    -0.22   0.19  -0.25
    27   1    -0.04  -0.28   0.31    -0.00   0.01  -0.01     0.07   0.32  -0.24
    28   1     0.04  -0.00   0.00     0.03  -0.06  -0.01     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.07  -0.07  -0.09     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.02   0.08     0.00  -0.00  -0.00
    31   1     0.01   0.02   0.00     0.34   0.42   0.17    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.02     0.07   0.35   0.42     0.00  -0.00   0.00
    33   1     0.01   0.00   0.02     0.38   0.10   0.43    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1461.0844              1489.2662              1489.8677
 Red. masses --      2.4416                 1.0407                 1.0978
 Frc consts  --      3.0709                 1.3600                 1.4357
 IR Inten    --      6.3943                 2.6121                 3.3894
 RamAct Fr= 1--      0.7106                 7.4906                10.9688
  Dep-P Fr= 1--      0.1517                 0.7448                 0.7330
  Dep-U Fr= 1--      0.2634                 0.8537                 0.8459
 Alpha2 Fr= 1--      0.0109                 0.0007                 0.0032
 Beta2  Fr= 1--      0.0312                 1.0658                 1.5465
 AlphaG Fr= 1--      0.0591                -0.0093                 0.0009
 Gamma2 Fr= 1--     -1.0039                 0.2586                -0.4614
 Delta2 Fr= 1--     -0.1223                 0.1124                 0.2543
 Raman1 Fr= 1--       2.843                 29.962                 43.875
 ROA1   Fr= 1--    -100.287                 28.426                -36.152
 CID1   Fr= 1--     -35.280                  0.949                 -0.824
 Raman2 Fr= 1--       0.374                 12.790                 18.558
 ROA2   Fr= 1--     -23.114                  5.308                -13.107
 CID2   Fr= 1--     -61.749                  0.415                 -0.706
 Raman3 Fr= 1--       0.749                 25.580                 37.115
 ROA3   Fr= 1--    -100.287                 28.426                -36.152
 CID3   Fr= 1--    -133.956                  1.111                 -0.974
 RC180  Fr= 1--      -0.473                  0.707                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.01  -0.01  -0.00
     3   6     0.13  -0.00  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.13   0.00  -0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00  -0.00     0.06  -0.05  -0.02
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01     0.04   0.01  -0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.01
    11   6    -0.04   0.02  -0.04     0.00   0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.22   0.07  -0.29     0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.31   0.12  -0.23    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.25   0.07  -0.30     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.28   0.10  -0.22    -0.01  -0.00  -0.01     0.02  -0.00   0.01
    19   1     0.21   0.05   0.01    -0.01   0.01  -0.00    -0.34   0.49  -0.22
    20   1    -0.21  -0.05   0.03    -0.00   0.00   0.01    -0.26   0.23   0.53
    21   1     0.00  -0.01   0.03    -0.01   0.02  -0.07    -0.02  -0.04  -0.01
    22   1     0.01   0.07  -0.02     0.05  -0.13   0.28    -0.06  -0.11  -0.10
    23   1    -0.04   0.03   0.00    -0.17   0.21  -0.26     0.16  -0.13   0.04
    24   1     0.03  -0.02  -0.03    -0.45  -0.19  -0.04     0.10   0.09   0.06
    25   1    -0.04   0.03  -0.00     0.46   0.21   0.01     0.07   0.11  -0.01
    26   1     0.04  -0.02  -0.03     0.11  -0.00  -0.37     0.14  -0.07  -0.13
    27   1    -0.02  -0.04  -0.06     0.01  -0.08   0.31    -0.05  -0.15   0.00
    28   1     0.38  -0.05   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.06  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   1    -0.00  -0.04  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.06  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1495.7117              1497.9054              1501.8923
 Red. masses --      1.0455                 1.0569                 1.0534
 Frc consts  --      1.3781                 1.3972                 1.4000
 IR Inten    --      5.7626                 0.0082                11.5294
 RamAct Fr= 1--      5.4818                 2.9255                 4.9187
  Dep-P Fr= 1--      0.6529                 0.3443                 0.6491
  Dep-U Fr= 1--      0.7900                 0.5122                 0.7872
 Alpha2 Fr= 1--      0.0095                 0.0262                 0.0089
 Beta2  Fr= 1--      0.7218                 0.2498                 0.6453
 AlphaG Fr= 1--      0.0289                -0.0674                 0.0710
 Gamma2 Fr= 1--      0.0157                -1.4251                 1.7269
 Delta2 Fr= 1--     -1.1162                 0.1574                 1.4433
 Raman1 Fr= 1--      21.927                 11.702                 19.675
 ROA1   Fr= 1--     -34.214               -131.773                211.972
 CID1   Fr= 1--      -1.560                -11.261                 10.774
 Raman2 Fr= 1--       8.661                  2.997                  7.744
 ROA2   Fr= 1--       9.305                -35.462                 29.900
 CID2   Fr= 1--       1.074                -11.832                  3.861
 Raman3 Fr= 1--      17.323                  5.994                 15.488
 ROA3   Fr= 1--     -34.214               -131.773                211.972
 CID3   Fr= 1--      -1.975                -21.983                 13.686
 RC180  Fr= 1--       0.580                  0.024                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
     3   6     0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.01  -0.00  -0.00
     5   6     0.01   0.00  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00     0.00  -0.01   0.03    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.04   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.03  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    13   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    16   1    -0.03   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.00
    17   1    -0.01  -0.00   0.00    -0.00  -0.00   0.01    -0.01  -0.02   0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.04  -0.03  -0.00     0.00   0.01  -0.00
    20   1     0.00  -0.00   0.00     0.05   0.03   0.01    -0.01  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.01   0.03  -0.08     0.00   0.00   0.00
    22   1     0.00   0.00   0.00     0.12   0.47  -0.01    -0.00  -0.01  -0.00
    23   1    -0.01   0.00  -0.00    -0.35   0.21   0.08     0.01  -0.01   0.00
    24   1    -0.00  -0.00  -0.00     0.14  -0.13  -0.20     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.17   0.22  -0.05     0.01  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.35  -0.19  -0.14    -0.01   0.00   0.00
    27   1     0.00   0.00   0.00    -0.15  -0.37  -0.28     0.00   0.01   0.01
    28   1     0.07   0.02   0.04    -0.02   0.00  -0.00     0.01  -0.05  -0.03
    29   6    -0.04  -0.01   0.03    -0.00   0.00  -0.00    -0.03   0.04  -0.02
    30   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    31   1     0.03  -0.46  -0.13     0.02  -0.01   0.00     0.61  -0.24   0.02
    32   1     0.02   0.51   0.05     0.00  -0.01   0.01     0.06  -0.34   0.54
    33   1     0.51   0.11  -0.47    -0.00  -0.00  -0.01    -0.25  -0.06  -0.30
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.8860              1512.7628              1551.8558
 Red. masses --      1.0505                 1.0556                 2.4222
 Frc consts  --      1.4091                 1.4233                 3.4368
 IR Inten    --     11.8050                10.4743                24.2525
 RamAct Fr= 1--      0.7472                 2.4166                 1.2819
  Dep-P Fr= 1--      0.7479                 0.7480                 0.6499
  Dep-U Fr= 1--      0.8557                 0.8558                 0.7878
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0023
 Beta2  Fr= 1--      0.1066                 0.3447                 0.1683
 AlphaG Fr= 1--      0.0006                 0.0011                 0.0097
 Gamma2 Fr= 1--      0.4425                 0.8296                 0.5946
 Delta2 Fr= 1--      0.0364                 0.2895                 0.6901
 Raman1 Fr= 1--       2.989                  9.666                  5.127
 ROA1   Fr= 1--      43.643                 88.902                 79.161
 CID1   Fr= 1--      14.602                  9.197                 15.439
 Raman2 Fr= 1--       1.279                  4.136                  2.020
 ROA2   Fr= 1--      10.329                 17.594                  8.748
 CID2   Fr= 1--       8.077                  4.254                  4.331
 Raman3 Fr= 1--       2.558                  8.273                  4.039
 ROA3   Fr= 1--      43.643                 88.902                 79.161
 CID3   Fr= 1--      17.064                 10.746                 19.597
 RC180  Fr= 1--       0.711                  0.712                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.01
    13   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.21
    16   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.43  -0.09   0.11
    17   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.43   0.03  -0.24
    18   1    -0.00   0.00   0.00    -0.01  -0.01  -0.01     0.44  -0.08   0.11
    19   1    -0.12   0.22  -0.09    -0.03   0.07  -0.02    -0.04   0.02  -0.00
    20   1    -0.09   0.11   0.23    -0.02   0.04   0.07    -0.04   0.02   0.02
    21   1     0.02  -0.05  -0.02     0.01   0.07   0.02     0.01   0.05   0.02
    22   1     0.10   0.12   0.22     0.06   0.45  -0.19     0.01   0.02   0.00
    23   1    -0.29   0.28  -0.20    -0.20   0.07   0.21    -0.03   0.02   0.00
    24   1    -0.29  -0.23  -0.14     0.36  -0.02  -0.17    -0.00  -0.02  -0.01
    25   1    -0.27  -0.29   0.02     0.38  -0.10   0.05    -0.00  -0.02   0.00
    26   1    -0.22   0.07   0.37    -0.23   0.17  -0.08    -0.02   0.01   0.01
    27   1     0.06   0.23  -0.11     0.12   0.24   0.40     0.01   0.02   0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.01
    32   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.06   0.02
    33   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.06   0.01  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.0236              1658.0384              1809.4309
 Red. masses --      5.9298                 5.7996                 9.5570
 Frc consts  --      9.1353                 9.3938                18.4355
 IR Inten    --      0.0349                 1.3501               327.2990
 RamAct Fr= 1--      2.2149               131.9668                18.7836
  Dep-P Fr= 1--      0.6604                 0.4793                 0.1842
  Dep-U Fr= 1--      0.7954                 0.6480                 0.3111
 Alpha2 Fr= 1--      0.0035                 0.7155                 0.2659
 Beta2  Fr= 1--      0.2936                14.2527                 0.9739
 AlphaG Fr= 1--     -0.0671                 0.1029                -0.0701
 Gamma2 Fr= 1--     -0.0953                 2.6572                 1.3997
 Delta2 Fr= 1--     -0.0848                 0.2903                -2.7362
 Raman1 Fr= 1--       8.859                527.867                 75.134
 ROA1   Fr= 1--     -11.862                264.384                 46.814
 CID1   Fr= 1--      -1.339                  0.501                  0.623
 Raman2 Fr= 1--       3.524                171.032                 11.686
 ROA2   Fr= 1--      -1.609                 61.452                 55.483
 CID2   Fr= 1--      -0.457                  0.359                  4.748
 Raman3 Fr= 1--       7.047                342.065                 23.373
 ROA3   Fr= 1--     -11.862                264.384                 46.814
 CID3   Fr= 1--      -1.683                  0.773                  2.003
 RC180  Fr= 1--       0.591                  0.296                 -0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.06   0.21     0.28   0.01  -0.11     0.01  -0.00  -0.00
     2   6    -0.03   0.11  -0.32    -0.21   0.01   0.03    -0.00   0.00   0.00
     3   6    -0.12   0.08  -0.18    -0.28   0.05  -0.04    -0.01   0.00  -0.00
     4   6     0.04  -0.11   0.32     0.19  -0.02  -0.02     0.03  -0.00  -0.01
     5   6     0.07   0.06  -0.20    -0.27  -0.00   0.11    -0.01  -0.00   0.01
     6   6     0.11  -0.07   0.18     0.30  -0.05   0.04     0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.01     0.01  -0.06  -0.04
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.12   0.42   0.55
    13   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.07  -0.24  -0.37
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03  -0.05
    15   1     0.31  -0.02  -0.05    -0.26  -0.06   0.27    -0.01  -0.00   0.01
    16   1     0.31  -0.03  -0.03     0.28  -0.10   0.18     0.02   0.01   0.01
    17   1    -0.31   0.01   0.05     0.26   0.06  -0.28     0.03  -0.00  -0.02
    18   1    -0.30   0.02   0.03    -0.31   0.10  -0.20    -0.00   0.00  -0.01
    19   1    -0.21  -0.03  -0.01     0.02   0.01  -0.01    -0.00   0.00  -0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00  -0.00   0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01    -0.00  -0.00  -0.00
    22   1     0.01   0.01   0.01    -0.00  -0.01   0.00     0.00   0.00   0.00
    23   1    -0.02   0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01     0.00   0.00  -0.00
    25   1     0.00   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.00
    28   1     0.28  -0.05   0.01    -0.00  -0.00   0.00    -0.08   0.23   0.08
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    30   1     0.00  -0.00   0.01     0.00   0.00  -0.01     0.02  -0.08   0.47
    31   1     0.03   0.02   0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    32   1    -0.00  -0.03   0.01     0.00   0.02   0.01     0.01   0.02   0.02
    33   1    -0.02   0.00   0.01     0.02   0.00   0.00     0.03  -0.01   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7187              3026.0213              3027.3665
 Red. masses --      1.0816                 1.0346                 1.0486
 Frc consts  --      5.7457                 5.5815                 5.6624
 IR Inten    --     21.7719                35.0566                41.9411
 RamAct Fr= 1--    132.0394                13.0058                53.8124
  Dep-P Fr= 1--      0.4627                 0.7486                 0.5960
  Dep-U Fr= 1--      0.6327                 0.8562                 0.7469
 Alpha2 Fr= 1--      0.7683                 0.0003                 0.1538
 Beta2  Fr= 1--     13.9237                 1.8560                 6.6987
 AlphaG Fr= 1--      0.0071                 0.0006                -0.0728
 Gamma2 Fr= 1--      1.1844                 1.4282                -0.6787
 Delta2 Fr= 1--     -0.6276                -0.4042                 0.5657
 Raman1 Fr= 1--     528.158                 52.023                215.249
 ROA1   Fr= 1--      93.623                124.172                -47.053
 CID1   Fr= 1--       0.177                  2.387                 -0.219
 Raman2 Fr= 1--     167.085                 22.272                 80.385
 ROA2   Fr= 1--      33.447                 37.510                -20.815
 CID2   Fr= 1--       0.200                  1.684                 -0.259
 Raman3 Fr= 1--     334.169                 44.544                160.769
 ROA3   Fr= 1--      93.623                124.172                -47.053
 CID3   Fr= 1--       0.280                  2.788                 -0.293
 RC180  Fr= 1--       0.265                  0.712                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.01    -0.00  -0.00   0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00  -0.00  -0.03    -0.00  -0.00  -0.03
    10   6     0.01   0.00  -0.00    -0.01   0.03  -0.02     0.00  -0.01   0.02
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    19   1    -0.04   0.03   0.18     0.01  -0.01  -0.04    -0.10   0.10   0.48
    20   1    -0.07   0.13  -0.11     0.01  -0.01   0.01    -0.18   0.36  -0.29
    21   1     0.91  -0.20  -0.17     0.01  -0.00  -0.00    -0.16   0.03   0.03
    22   1    -0.08   0.02   0.02    -0.34   0.08   0.07    -0.25   0.06   0.05
    23   1    -0.03  -0.04  -0.01     0.22   0.30   0.07     0.17   0.24   0.06
    24   1    -0.01   0.04  -0.03     0.12  -0.32   0.24     0.10  -0.28   0.20
    25   1    -0.00   0.01   0.05    -0.06   0.11   0.45     0.03  -0.07  -0.29
    26   1    -0.03  -0.04  -0.01    -0.24  -0.33  -0.09     0.14   0.19   0.06
    27   1    -0.08   0.02   0.01     0.38  -0.10  -0.07    -0.20   0.05   0.03
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.8955              3045.4560              3063.5875
 Red. masses --      1.0477                 1.0362                 1.1039
 Frc consts  --      5.6781                 5.6624                 6.1046
 IR Inten    --     18.7608                27.7217                18.1704
 RamAct Fr= 1--    529.6299               234.5557                54.4094
  Dep-P Fr= 1--      0.0107                 0.0622                 0.7493
  Dep-U Fr= 1--      0.0212                 0.1170                 0.8567
 Alpha2 Fr= 1--     11.4789                 4.5006                 0.0006
 Beta2  Fr= 1--      1.8684                 4.5754                 7.7688
 AlphaG Fr= 1--      0.5338                -0.7632                -0.0345
 Gamma2 Fr= 1--      1.8187                 0.1892                 0.7804
 Delta2 Fr= 1--     -0.2232                 2.7631                 0.9260
 Raman1 Fr= 1--    2118.520                938.223                217.638
 ROA1   Fr= 1--     167.455                106.582                104.552
 CID1   Fr= 1--       0.079                  0.114                  0.480
 Raman2 Fr= 1--      22.421                 54.904                 93.226
 ROA2   Fr= 1--      45.435                -17.563                 11.321
 CID2   Fr= 1--       2.026                 -0.320                  0.121
 Raman3 Fr= 1--      44.843                109.809                186.451
 ROA3   Fr= 1--     167.455                106.582                104.552
 CID3   Fr= 1--       3.734                  0.971                  0.561
 RC180  Fr= 1--      -0.958                 -0.766                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    18   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    19   1    -0.09   0.10   0.45    -0.00   0.00   0.01    -0.14   0.16   0.66
    20   1    -0.16   0.34  -0.26    -0.00   0.00  -0.00     0.26  -0.53   0.39
    21   1    -0.18   0.04   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.30  -0.07  -0.06     0.00  -0.00  -0.00    -0.03   0.01   0.01
    23   1    -0.16  -0.22  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    24   1    -0.09   0.25  -0.18    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    25   1    -0.04   0.07   0.30    -0.00   0.00   0.00     0.01  -0.01  -0.05
    26   1    -0.16  -0.21  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    27   1     0.29  -0.07  -0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.08  -0.15   0.40    -0.00  -0.00   0.00
    32   1    -0.01   0.00   0.00     0.67  -0.06  -0.13     0.00  -0.00  -0.00
    33   1     0.00  -0.01   0.00    -0.16   0.55  -0.04    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3084.3543              3085.7927              3088.3366
 Red. masses --      1.0851                 1.1020                 1.1008
 Frc consts  --      6.0823                 6.1823                 6.1858
 IR Inten    --      3.7551                15.5184                50.3847
 RamAct Fr= 1--     58.4696                37.9921               132.4250
  Dep-P Fr= 1--      0.2190                 0.7481                 0.6956
  Dep-U Fr= 1--      0.3594                 0.8559                 0.8205
 Alpha2 Fr= 1--      0.7546                 0.0012                 0.1259
 Beta2  Fr= 1--      3.5020                 5.4197                18.1088
 AlphaG Fr= 1--      0.3255                -0.0805                 0.0019
 Gamma2 Fr= 1--     -3.9949                 3.1908                -0.3588
 Delta2 Fr= 1--     -3.9905                 2.2786                -2.0485
 Raman1 Fr= 1--     233.879                151.968                529.700
 ROA1   Fr= 1--    -511.204                379.232                -99.994
 CID1   Fr= 1--      -2.186                  2.495                 -0.189
 Raman2 Fr= 1--      42.025                 65.036                217.306
 ROA2   Fr= 1--     -63.953                 58.350                  7.777
 CID2   Fr= 1--      -1.522                  0.897                  0.036
 Raman3 Fr= 1--      84.049                130.073                434.611
 ROA3   Fr= 1--    -511.204                379.232                -99.994
 CID3   Fr= 1--      -6.082                  2.916                 -0.230
 RC180  Fr= 1--      -0.281                  0.712                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.01   0.06  -0.01    -0.00  -0.07   0.01
    10   6     0.00   0.00   0.00    -0.01  -0.04  -0.05    -0.01  -0.04  -0.05
    11   6     0.02   0.03  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    16   1     0.02   0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.06    -0.00   0.00   0.01
    20   1     0.00   0.00  -0.00     0.02  -0.05   0.04    -0.01   0.02  -0.01
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.01
    22   1    -0.00   0.00   0.00     0.05   0.00  -0.01    -0.12   0.01   0.03
    23   1     0.00   0.00   0.00    -0.28  -0.37  -0.10     0.30   0.39   0.12
    24   1    -0.00   0.00  -0.00     0.13  -0.35   0.27    -0.15   0.40  -0.31
    25   1     0.00  -0.00  -0.01    -0.07   0.11   0.50    -0.06   0.10   0.46
    26   1    -0.01  -0.01  -0.00     0.31   0.41   0.10     0.26   0.34   0.08
    27   1    -0.00   0.00   0.00    -0.07   0.01  -0.00    -0.14   0.03   0.01
    28   1    -0.19  -0.34   0.89    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    29   6    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1     0.04   0.07  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.07  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.03   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3092.0368              3097.1395              3107.0048
 Red. masses --      1.1017                 1.1008                 1.1021
 Frc consts  --      6.2059                 6.2213                 6.2685
 IR Inten    --      6.9290                76.0051                25.2385
 RamAct Fr= 1--     12.4594                61.8158               101.9351
  Dep-P Fr= 1--      0.7197                 0.4769                 0.7140
  Dep-U Fr= 1--      0.8370                 0.6458                 0.8332
 Alpha2 Fr= 1--      0.0065                 0.3387                 0.0634
 Beta2  Fr= 1--      1.7381                 6.6535                14.1548
 AlphaG Fr= 1--      0.0943                -0.0903                 0.1244
 Gamma2 Fr= 1--     -6.8198                 3.5133                -1.5761
 Delta2 Fr= 1--     -3.0637                 2.4607                -3.4563
 Raman1 Fr= 1--      49.837                247.263                407.740
 ROA1   Fr= 1--    -752.737                416.016               -261.906
 CID1   Fr= 1--     -15.104                  1.682                 -0.642
 Raman2 Fr= 1--      20.857                 79.842                169.858
 ROA2   Fr= 1--    -139.166                 64.632                -10.175
 CID2   Fr= 1--      -6.672                  0.810                 -0.060
 Raman3 Fr= 1--      41.715                159.684                339.716
 ROA3   Fr= 1--    -752.737                416.016               -261.906
 CID3   Fr= 1--     -18.045                  2.605                 -0.771
 RC180  Fr= 1--       0.674                  0.292                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
     9   6     0.06  -0.01   0.01    -0.07  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.06  -0.00   0.02    -0.06  -0.01   0.01    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    19   1     0.01  -0.01  -0.03     0.00  -0.00  -0.02     0.00  -0.00  -0.00
    20   1    -0.01   0.02  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00     0.16  -0.04  -0.03     0.00  -0.00  -0.00
    22   1    -0.55   0.14   0.13     0.56  -0.14  -0.13     0.00  -0.00  -0.00
    23   1    -0.15  -0.23  -0.06     0.20   0.29   0.08     0.00   0.00   0.00
    24   1    -0.05   0.19  -0.14     0.04  -0.15   0.11    -0.00  -0.00   0.00
    25   1     0.01  -0.05  -0.22     0.01  -0.04  -0.16    -0.00  -0.00   0.00
    26   1     0.17   0.25   0.07     0.19   0.28   0.08     0.00   0.00   0.00
    27   1     0.58  -0.16  -0.09     0.53  -0.15  -0.08     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.06
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.07  -0.06  -0.02
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.06   0.14
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.67   0.04   0.13
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.18   0.68  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3131.1290              3163.6617              3168.2926
 Red. masses --      1.1003                 1.0868                 1.0879
 Frc consts  --      6.3559                 6.4087                 6.4339
 IR Inten    --     14.9314                10.3252                10.9078
 RamAct Fr= 1--     27.5848                46.5142                58.7416
  Dep-P Fr= 1--      0.6383                 0.7471                 0.5427
  Dep-U Fr= 1--      0.7793                 0.8553                 0.7035
 Alpha2 Fr= 1--      0.0557                 0.0023                 0.2339
 Beta2  Fr= 1--      3.5826                 6.6303                 6.8878
 AlphaG Fr= 1--     -0.0128                -0.0228                -0.2510
 Gamma2 Fr= 1--     -1.2875                 1.1433                -2.8336
 Delta2 Fr= 1--      0.5947                 0.9099                 0.8640
 Raman1 Fr= 1--     110.339                186.057                234.967
 ROA1   Fr= 1--    -104.567                138.870               -244.374
 CID1   Fr= 1--      -0.948                  0.746                 -1.040
 Raman2 Fr= 1--      42.991                 79.563                 82.653
 ROA2   Fr= 1--     -35.657                 20.159                -74.918
 CID2   Fr= 1--      -0.829                  0.253                 -0.906
 Raman3 Fr= 1--      85.982                159.127                165.307
 ROA3   Fr= 1--    -104.567                138.870               -244.374
 CID3   Fr= 1--      -1.216                  0.873                 -1.478
 RC180  Fr= 1--       0.559                  0.711                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.01
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.02   0.02  -0.06     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.02
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.38   0.22  -0.51     0.05  -0.03   0.07
    16   1     0.01   0.01  -0.02    -0.29  -0.18   0.65    -0.00  -0.00   0.00
    17   1    -0.03   0.02  -0.04    -0.02   0.01  -0.02    -0.19   0.11  -0.26
    18   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.37  -0.23   0.82
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    28   1    -0.04  -0.07   0.19    -0.01  -0.01   0.03     0.00   0.00  -0.00
    29   6     0.02   0.05  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.15  -0.28   0.81    -0.00  -0.00   0.01     0.00   0.01  -0.02
    32   1    -0.20   0.03   0.03    -0.00   0.00   0.00     0.01  -0.00  -0.00
    33   1     0.11  -0.38   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3180.4236              3193.7799              3727.7406
 Red. masses --      1.0937                 1.0924                 1.0641
 Frc consts  --      6.5183                 6.5653                 8.7118
 IR Inten    --     14.8008                 5.5895                66.7496
 RamAct Fr= 1--    117.1971               118.5498               128.2469
  Dep-P Fr= 1--      0.1428                 0.1323                 0.2384
  Dep-U Fr= 1--      0.2499                 0.2337                 0.3851
 Alpha2 Fr= 1--      1.8451                 1.9161                 1.5696
 Beta2  Fr= 1--      4.8812                 4.6176                 8.2304
 AlphaG Fr= 1--      0.2830                -0.0260                -0.0913
 Gamma2 Fr= 1--      2.5846                 1.3694                 3.4773
 Delta2 Fr= 1--     -0.7360                -0.3832                -0.7534
 Raman1 Fr= 1--     468.788                474.199                512.988
 ROA1   Fr= 1--     224.566                119.204                309.714
 CID1   Fr= 1--       0.479                  0.251                  0.604
 Raman2 Fr= 1--      58.575                 55.411                 98.765
 ROA2   Fr= 1--      67.917                 35.933                 89.483
 CID2   Fr= 1--       1.159                  0.648                  0.906
 Raman3 Fr= 1--     117.150                110.822                197.530
 ROA3   Fr= 1--     224.566                119.204                309.714
 CID3   Fr= 1--       1.917                  1.076                  1.568
 RC180  Fr= 1--      -0.500                 -0.533                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.03   0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.01    -0.05   0.03  -0.06    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01  -0.03     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.06  -0.01
    15   1     0.42  -0.24   0.55    -0.04   0.02  -0.05    -0.00   0.00  -0.00
    16   1    -0.27  -0.17   0.59     0.02   0.01  -0.04     0.00  -0.00  -0.00
    17   1     0.05  -0.03   0.07     0.53  -0.30   0.70     0.00  -0.00  -0.00
    18   1     0.01   0.01  -0.03    -0.14  -0.08   0.30    -0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.01  -0.01   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.24   0.96   0.11
    31   1    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.00   0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    33   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.862066268.961776454.32596
           X            0.99974   0.02180   0.00655
           Y           -0.02114   0.99583  -0.08879
           Z           -0.00846   0.08863   0.99603
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05636     0.01382     0.01342
 Rotational constants (GHZ):           1.17430     0.28789     0.27962
 Zero-point vibrational energy     747300.4 (Joules/Mol)
                                  178.60908 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.51    55.66    69.07    87.25   130.95
          (Kelvin)            167.91   234.51   287.75   335.08   357.18
                              367.22   387.10   407.70   482.00   516.75
                              563.93   585.11   589.56   609.32   705.49
                              804.64   842.99   879.37   920.54   954.31
                             1027.03  1092.05  1129.34  1181.39  1192.12
                             1229.51  1231.11  1250.62  1295.94  1356.56
                             1381.12  1394.75  1400.95  1408.29  1441.51
                             1504.23  1524.87  1565.30  1593.95  1597.32
                             1656.73  1707.95  1731.40  1747.70  1759.92
                             1780.35  1791.31  1867.56  1884.50  1929.43
                             1937.01  1947.18  1975.54  1980.31  1997.33
                             2022.33  2040.14  2050.68  2102.17  2142.72
                             2143.59  2152.00  2155.15  2160.89  2170.95
                             2176.53  2232.77  2326.54  2385.55  2603.37
                             4320.24  4353.77  4355.71  4363.66  4381.73
                             4407.82  4437.70  4439.77  4443.43  4448.75
                             4456.09  4470.29  4505.00  4551.80  4558.47
                             4575.92  4595.14  5363.39
 
 Zero-point correction=                           0.284632 (Hartree/Particle)
 Thermal correction to Energy=                    0.300138
 Thermal correction to Enthalpy=                  0.301082
 Thermal correction to Gibbs Free Energy=         0.240431
 Sum of electronic and zero-point Energies=           -656.737336
 Sum of electronic and thermal Energies=              -656.721830
 Sum of electronic and thermal Enthalpies=            -656.720886
 Sum of electronic and thermal Free Energies=         -656.781537
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.339             58.569            127.650
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.497
 Vibrational            186.562             52.607             53.278
 Vibration     1          0.593              1.985              6.454
 Vibration     2          0.594              1.981              5.325
 Vibration     3          0.595              1.978              4.898
 Vibration     4          0.597              1.973              4.436
 Vibration     5          0.602              1.956              3.638
 Vibration     6          0.608              1.936              3.154
 Vibration     7          0.623              1.888              2.515
 Vibration     8          0.638              1.840              2.133
 Vibration     9          0.654              1.791              1.857
 Vibration    10          0.662              1.766              1.743
 Vibration    11          0.666              1.754              1.694
 Vibration    12          0.673              1.730              1.602
 Vibration    13          0.682              1.704              1.513
 Vibration    14          0.716              1.606              1.236
 Vibration    15          0.734              1.556              1.126
 Vibration    16          0.759              1.487              0.993
 Vibration    17          0.771              1.456              0.938
 Vibration    18          0.774              1.449              0.927
 Vibration    19          0.786              1.419              0.880
 Vibration    20          0.846              1.271              0.683
 Vibration    21          0.915              1.119              0.525
 Vibration    22          0.943              1.062              0.475
 Vibration    23          0.970              1.008              0.431
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256657-110       -110.590646       -254.644373
 Total V=0       0.214154D+21         20.330727         46.813229
 Vib (Bot)       0.781627-125       -125.107000       -288.069514
 Vib (Bot)    1  0.945881D+01          0.975836          2.246946
 Vib (Bot)    2  0.534842D+01          0.728226          1.676801
 Vib (Bot)    3  0.430722D+01          0.634197          1.460293
 Vib (Bot)    4  0.340516D+01          0.532137          1.225291
 Vib (Bot)    5  0.225860D+01          0.353838          0.814743
 Vib (Bot)    6  0.175235D+01          0.243622          0.560960
 Vib (Bot)    7  0.123917D+01          0.093132          0.214445
 Vib (Bot)    8  0.996983D+00         -0.001312         -0.003021
 Vib (Bot)    9  0.844621D+00         -0.073338         -0.168868
 Vib (Bot)   10  0.786827D+00         -0.104121         -0.239748
 Vib (Bot)   11  0.762766D+00         -0.117608         -0.270803
 Vib (Bot)   12  0.718659D+00         -0.143477         -0.330368
 Vib (Bot)   13  0.677282D+00         -0.169230         -0.389667
 Vib (Bot)   14  0.556014D+00         -0.254914         -0.586961
 Vib (Bot)   15  0.510618D+00         -0.291904         -0.672133
 Vib (Bot)   16  0.457399D+00         -0.339705         -0.782200
 Vib (Bot)   17  0.436127D+00         -0.360387         -0.829822
 Vib (Bot)   18  0.431840D+00         -0.364678         -0.839701
 Vib (Bot)   19  0.413501D+00         -0.383523         -0.883095
 Vib (Bot)   20  0.338046D+00         -0.471024         -1.084573
 Vib (Bot)   21  0.278113D+00         -0.555779         -1.279729
 Vib (Bot)   22  0.258538D+00         -0.587475         -1.352711
 Vib (Bot)   23  0.241490D+00         -0.617100         -1.420926
 Vib (V=0)       0.652188D+06          5.814373         13.388088
 Vib (V=0)    1  0.997201D+01          0.998783          2.299783
 Vib (V=0)    2  0.587174D+01          0.768767          1.770151
 Vib (V=0)    3  0.483615D+01          0.684499          1.576118
 Vib (V=0)    4  0.394167D+01          0.595680          1.371605
 Vib (V=0)    5  0.281328D+01          0.449213          1.034350
 Vib (V=0)    6  0.232229D+01          0.365917          0.842554
 Vib (V=0)    7  0.183625D+01          0.263931          0.607723
 Vib (V=0)    8  0.161534D+01          0.208263          0.479543
 Vib (V=0)    9  0.148152D+01          0.170708          0.393069
 Vib (V=0)   10  0.143225D+01          0.156020          0.359249
 Vib (V=0)   11  0.141204D+01          0.149846          0.345034
 Vib (V=0)   12  0.137548D+01          0.138455          0.318805
 Vib (V=0)   13  0.134185D+01          0.127704          0.294049
 Vib (V=0)   14  0.124776D+01          0.096133          0.221354
 Vib (V=0)   15  0.121465D+01          0.084453          0.194460
 Vib (V=0)   16  0.117765D+01          0.071017          0.163524
 Vib (V=0)   17  0.116348D+01          0.065759          0.151416
 Vib (V=0)   18  0.116067D+01          0.064709          0.148998
 Vib (V=0)   19  0.114883D+01          0.060257          0.138746
 Vib (V=0)   20  0.110355D+01          0.042793          0.098534
 Vib (V=0)   21  0.107214D+01          0.030252          0.069659
 Vib (V=0)   22  0.106289D+01          0.026487          0.060989
 Vib (V=0)   23  0.105526D+01          0.023361          0.053790
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.282284D+07          6.450686         14.853254
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665555444444443333333222222111100009999998888877766655444433322222211     
     2        98663099888643220                           051510099986210877544194321085108640776640655228516418592109538654306196432
     8        40841772864453763                           987239286091586863361085735371088052949031965915943016904072953958303711892
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXX X XXXXXXXXXXXXXXXXXXXXXXXXX   X  XXXX
     X             XX X   X XX                            X                           X    X X      X        XXX                     
     X              X X     X                             X                           X    X                 X X                     
     X              X                                     X                           X    X                                         
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016721    0.000003309    0.000007701
      2        6          -0.000000552    0.000005020   -0.000017200
      3        6           0.000019258   -0.000000280    0.000000871
      4        6          -0.000003579   -0.000013293    0.000002095
      5        6          -0.000009958    0.000004959    0.000004556
      6        6           0.000014302   -0.000000482    0.000005919
      7        6          -0.000008578   -0.000001339    0.000003270
      8        6           0.000000922    0.000002956    0.000001705
      9        6           0.000001363   -0.000004764   -0.000011996
     10        6           0.000002443   -0.000007684    0.000007161
     11        6           0.000018029    0.000014361    0.000001318
     12        6          -0.000004360    0.000008445   -0.000092390
     13        8          -0.000005339    0.000016095    0.000037841
     14        8           0.000003966   -0.000018816    0.000052425
     15        1           0.000002993   -0.000002129   -0.000001545
     16        1          -0.000003488    0.000003544    0.000000234
     17        1           0.000005593   -0.000000754    0.000002399
     18        1          -0.000002863   -0.000003471    0.000000722
     19        1           0.000004998   -0.000002235    0.000001084
     20        1           0.000001306    0.000000637   -0.000000732
     21        1           0.000003226    0.000001055   -0.000000580
     22        1          -0.000003331    0.000001944    0.000005926
     23        1           0.000000781    0.000000535   -0.000001448
     24        1          -0.000001727    0.000000484   -0.000000227
     25        1          -0.000000353   -0.000001486   -0.000002116
     26        1          -0.000000379    0.000000426   -0.000000489
     27        1          -0.000000225    0.000004190   -0.000002484
     28        1          -0.000001076    0.000001824   -0.000000275
     29        6          -0.000011055   -0.000009114   -0.000000093
     30        1           0.000000292    0.000003588   -0.000001558
     31        1          -0.000003176   -0.000004359    0.000005838
     32        1          -0.000001519   -0.000001361   -0.000005922
     33        1          -0.000001194   -0.000001800   -0.000002008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092390 RMS     0.000012937
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.210560D+03 -0.130396D+01 -0.682680D+00
      2  -0.130396D+01  0.138074D+03 -0.667911D+01
      3  -0.682680D+00 -0.667911D+01  0.156771D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.362201D+01 -0.766044D+01  0.222893D+02
      2   0.105582D+02 -0.899037D+01  0.467071D+02
      3  -0.120239D+03 -0.369409D+02  0.124298D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.166728D+03  0.554499D+02 -0.352681D+01
      2  -0.906749D+02 -0.325405D+02  0.164878D+02
      3  -0.760528D+02 -0.229094D+02 -0.129610D+02
      4  -0.264229D+02  0.706995D+02 -0.262960D+02
      5  -0.673542D+01 -0.288099D+02  0.997611D+02
      6  -0.115058D+02  0.126119D+02 -0.278952D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.901103D+01  0.667586D+00  0.108718D+01 -0.179287D+01  0.157212D+01
      2   0.667586D+00  0.213838D+01 -0.849366D+00  0.157212D+01 -0.349609D+01
      3   0.108718D+01 -0.849366D+00  0.317768D+01  0.175976D+01  0.228551D+01
                 6             7             8             9            10 
      1   0.175976D+01  0.128640D+02  0.138321D+01 -0.801425D+00  0.295247D+02
      2   0.228551D+01  0.138321D+01  0.430820D-01  0.139911D+01  0.155413D+01
      3   0.995982D+00 -0.801425D+00  0.139911D+01  0.100675D+01 -0.117901D+01
                11            12            13            14            15 
      1   0.155413D+01 -0.117901D+01 -0.125028D+01  0.389621D+01  0.146066D+01
      2   0.182047D+01 -0.642120D+00  0.389621D+01 -0.148190D+01 -0.199595D-01
      3  -0.642120D+00  0.301702D+01  0.146066D+01 -0.199595D-01 -0.862169D+00
                16            17            18            19            20 
      1  -0.222999D+01  0.134418D+01  0.117663D+01  0.123826D+02 -0.697063D+00
      2   0.134418D+01  0.391627D+00 -0.102452D+01 -0.697063D+00 -0.265562D+01
      3   0.117663D+01 -0.102452D+01 -0.460149D+00 -0.124021D+01  0.157862D+01
                21            22            23            24            25 
      1  -0.124021D+01 -0.415222D+01 -0.149291D+01 -0.912639D-01  0.110416D+02
      2   0.157862D+01 -0.149291D+01 -0.277245D+01  0.252500D+01 -0.169989D+01
      3  -0.197967D+01 -0.912639D-01  0.252500D+01  0.177650D+01  0.125100D+00
                26            27            28            29            30 
      1  -0.169989D+01  0.125100D+00 -0.275026D+02  0.467336D+00  0.892118D+00
      2   0.134322D+01  0.129311D+01  0.467336D+00 -0.173032D+01  0.280801D+00
      3   0.129311D+01  0.188804D+01  0.892118D+00  0.280801D+00 -0.283973D+01
                31            32            33            34            35 
      1   0.263295D+01 -0.481585D+01 -0.163304D+01  0.314982D+01 -0.145383D+01
      2  -0.481585D+01  0.688275D+00  0.456848D+00 -0.145383D+01  0.797861D-01
      3  -0.163304D+01  0.456848D+00  0.140167D+00 -0.515558D+00 -0.926158D+00
                36            37            38            39            40 
      1  -0.515558D+00  0.953515D+01 -0.913314D+00 -0.819928D+00  0.343233D+01
      2  -0.926158D+00 -0.913314D+00 -0.862547D+00 -0.492405D+00 -0.149333D+01
      3   0.347863D+00 -0.819928D+00 -0.492405D+00 -0.338158D+01 -0.103020D+01
                41            42            43            44            45 
      1  -0.149333D+01 -0.103020D+01 -0.133648D+02  0.397942D+00  0.537097D+00
      2   0.223179D+01 -0.228409D+01  0.397942D+00 -0.115447D+01 -0.834881D+00
      3  -0.228409D+01 -0.125495D+01  0.537097D+00 -0.834881D+00 -0.143779D+01
                46            47            48            49            50 
      1  -0.118775D+02  0.324134D+00  0.843973D+00  0.519302D+01  0.189676D+01
      2   0.324134D+00  0.932207D+00  0.490661D-01  0.189676D+01  0.167939D+01
      3   0.843973D+00  0.490661D-01  0.182210D+01 -0.432363D+00 -0.292343D+01
                51            52            53            54            55 
      1  -0.432363D+00 -0.101094D+02  0.286422D+00 -0.291516D+00 -0.134464D+02
      2  -0.292343D+01  0.286422D+00 -0.152176D+01 -0.939925D+00 -0.293579D+01
      3  -0.207066D+01 -0.291516D+00 -0.939925D+00 -0.185827D+01 -0.486020D+00
                56            57            58            59            60 
      1  -0.293579D+01 -0.486020D+00 -0.681143D+01 -0.703089D+01 -0.327903D+00
      2  -0.378947D+01  0.431207D-01 -0.703089D+01  0.254423D-01 -0.199541D+01
      3   0.431207D-01 -0.159497D+01 -0.327903D+00 -0.199541D+01  0.188276D+01
                61            62            63            64            65 
      1  -0.174119D+01 -0.566343D+00 -0.320871D+01 -0.416622D+01  0.442792D+01
      2  -0.566343D+00 -0.265359D+01  0.298793D+01  0.442792D+01  0.322579D+01
      3  -0.320871D+01  0.298793D+01  0.443922D+01  0.227119D+01 -0.300386D+00
                66            67            68            69            70 
      1   0.227119D+01  0.126031D+02  0.514854D+01 -0.452793D-01  0.510235D+01
      2  -0.300386D+00  0.514854D+01  0.169751D+01  0.328187D+01  0.732096D+00
      3   0.979863D+00 -0.452793D-01  0.328187D+01 -0.297406D+01  0.249642D+00
                71            72            73            74            75 
      1   0.732096D+00  0.249642D+00  0.329910D+01 -0.325686D+01 -0.231471D+01
      2   0.340916D+01 -0.265207D+01 -0.325686D+01 -0.331981D+01 -0.575300D-01
      3  -0.265207D+01 -0.429669D+01 -0.231471D+01 -0.575300D-01 -0.147674D+01
                76            77            78            79            80 
      1  -0.459638D+01 -0.432531D+01  0.161571D-01 -0.260865D+01  0.254071D+00
      2  -0.432531D+01 -0.121491D+01 -0.418673D+01  0.254071D+00 -0.301937D+01
      3   0.161571D-01 -0.418673D+01  0.306614D+01 -0.409268D+00  0.261269D+01
                81            82            83            84            85 
      1  -0.409268D+00  0.323029D+01 -0.390561D+01 -0.130236D+01 -0.597914D+01
      2   0.261269D+01 -0.390561D+01 -0.380379D+01  0.357319D+00 -0.419390D+01
      3   0.262184D+01 -0.130236D+01  0.357319D+00 -0.103364D+01 -0.799433D-01
                86            87            88            89            90 
      1  -0.419390D+01 -0.799433D-01 -0.199644D+01 -0.885806D+00 -0.775985D+00
      2  -0.270845D+01 -0.239667D+01 -0.885806D+00 -0.321194D+01  0.211980D+01
      3  -0.239667D+01  0.315697D+01 -0.775985D+00  0.211980D+01  0.586087D+01
                91            92            93            94            95 
      1   0.510762D+01  0.193390D+01  0.194906D+01 -0.257543D+01  0.549403D+01
      2   0.193390D+01  0.174997D+01  0.409294D+00  0.549403D+01 -0.371315D+01
      3   0.194906D+01  0.409294D+00  0.155707D+01  0.145970D+01  0.573545D+00
                96            97            98            99           100 
      1   0.145970D+01  0.327848D+01  0.201214D+01  0.241510D+01  0.575648D+00
      2   0.573545D+00  0.201214D+01  0.626595D+00  0.263210D+01 -0.116387D+01
      3   0.221577D+01  0.241510D+01  0.263210D+01 -0.307554D+01 -0.150610D+01
               101           102           103           104           105 
      1  -0.116387D+01 -0.150610D+01 -0.213452D+00 -0.641527D+00  0.126055D+01
      2  -0.808371D-02  0.755102D+00 -0.641527D+00  0.278982D+01 -0.175785D+01
      3   0.755102D+00  0.484970D+00  0.126055D+01 -0.175785D+01 -0.292440D+01
               106           107           108           109           110 
      1  -0.368894D+01  0.166520D+01  0.128706D+01 -0.231492D+01  0.182263D+01
      2   0.166520D+01 -0.369666D+01 -0.346463D+01  0.182263D+01 -0.831010D+00
      3   0.128706D+01 -0.346463D+01 -0.211917D+01  0.319338D+01 -0.762481D+00
               111           112           113           114           115 
      1   0.319338D+01  0.289781D+01 -0.274638D+01 -0.170832D+01  0.600521D+01
      2  -0.762481D+00 -0.274638D+01  0.482262D+01  0.388632D+01 -0.284382D+01
      3  -0.132311D+01 -0.170832D+01  0.388632D+01  0.343165D+01 -0.315367D+01
               116           117           118           119           120 
      1  -0.284382D+01 -0.315367D+01  0.624052D+00 -0.608675D+00 -0.144439D+01
      2   0.491888D+01  0.416267D+01 -0.608675D+00  0.186735D+01 -0.116906D+00
      3   0.416267D+01  0.879330D+01 -0.144439D+01 -0.116906D+00 -0.140882D+00
               121           122           123           124           125 
      1  -0.173024D+01  0.316592D+01 -0.380930D+00 -0.373745D+01  0.986274D+00
      2   0.316592D+01 -0.691567D+01 -0.178161D+00  0.986274D+00 -0.152677D+01
      3  -0.380930D+00 -0.178161D+00 -0.162630D+00 -0.992217D+00  0.143618D+01
               126           127           128           129           130 
      1  -0.992217D+00  0.337620D+01 -0.100908D+01  0.242536D+01 -0.179969D+01
      2   0.143618D+01 -0.100908D+01  0.907940D+00 -0.101657D+01  0.659157D+00
      3  -0.405377D+01  0.242536D+01 -0.101657D+01  0.214716D+01 -0.132356D+01
               131           132           133           134           135 
      1   0.659157D+00 -0.132356D+01  0.250127D+01 -0.118726D+01  0.279158D+01
      2  -0.804372D+00  0.877562D+00 -0.118726D+01  0.163259D+01 -0.203935D+01
      3   0.877562D+00 -0.201721D+01  0.279158D+01 -0.203935D+01  0.484141D+01
               136           137           138           139           140 
      1  -0.202793D+01 -0.627563D+00  0.201643D+01 -0.363130D+00 -0.162263D+00
      2  -0.627563D+00 -0.343810D+00  0.633208D+00 -0.162263D+00 -0.481678D+00
      3   0.201643D+01  0.633208D+00 -0.219859D+01  0.632681D+00  0.707209D+00
               141           142           143           144           145 
      1   0.632681D+00  0.203845D+01  0.955222D+00 -0.260109D+01 -0.488336D+01
      2   0.707209D+00  0.955222D+00  0.155437D+01 -0.228379D+01  0.173690D+01
      3  -0.212007D+01 -0.260109D+01 -0.228379D+01  0.707021D+01 -0.192182D+01
               146           147           148           149           150 
      1   0.173690D+01 -0.192182D+01  0.263172D+01 -0.126376D+01  0.106017D+01
      2  -0.117524D+01  0.537626D+00 -0.126376D+01  0.101097D+01 -0.511594D+00
      3   0.537626D+00 -0.182309D+01  0.106017D+01 -0.511594D+00  0.180761D+01
               151           152           153           154           155 
      1  -0.213641D+01  0.578110D+00 -0.263919D+01  0.202540D+01  0.625296D+00
      2   0.578110D+00 -0.923051D+00  0.141346D+01  0.625296D+00  0.280518D+00
      3  -0.263919D+01  0.141346D+01 -0.466674D+01 -0.191426D+01 -0.304887D+00
               156           157           158           159           160 
      1  -0.191426D+01  0.256186D+00  0.184868D+00 -0.518257D+00 -0.227235D+01
      2  -0.304887D+00  0.184868D+00  0.308486D+00 -0.455694D+00 -0.806509D+00
      3   0.203605D+01 -0.518257D+00 -0.455694D+00  0.181846D+01  0.271097D+01
               161           162           163           164           165 
      1  -0.806509D+00  0.271097D+01  0.168299D+01 -0.454800D+00 -0.164175D+01
      2  -0.106652D+01  0.141403D+01 -0.454800D+00  0.935435D+00  0.482080D+00
      3   0.141403D+01 -0.703197D+01 -0.164175D+01  0.482080D+00  0.137714D+01
               166           167           168           169           170 
      1   0.935807D+00  0.151811D+01  0.482573D+00 -0.464581D+01  0.752589D+00
      2   0.151811D+01 -0.118722D+01 -0.123008D+01  0.752589D+00 -0.191473D+01
      3   0.482573D+00 -0.123008D+01 -0.134550D+01  0.295825D+01 -0.254447D+01
               171           172           173           174           175 
      1   0.295825D+01  0.327557D+01 -0.180115D+01  0.109129D+01 -0.256455D+01
      2  -0.254447D+01 -0.180115D+01  0.232027D+01 -0.421990D+00  0.312001D+01
      3  -0.637896D+01  0.109129D+01 -0.421990D+00  0.714525D+00 -0.592778D+00
               176           177           178           179           180 
      1   0.312001D+01 -0.592778D+00  0.447454D+01 -0.979874D+00  0.127114D+01
      2  -0.525386D+01  0.146363D+01 -0.979874D+00  0.279548D+01 -0.162334D+01
      3   0.146363D+01 -0.116118D+01  0.127114D+01 -0.162334D+01  0.102121D+01
               181           182           183           184           185 
      1   0.130826D+02 -0.143630D+01 -0.150803D+01 -0.316855D+01  0.111661D+01
      2  -0.143630D+01  0.116783D+01  0.193263D+00  0.111661D+01 -0.100872D+01
      3  -0.150803D+01  0.193263D+00  0.138662D+01  0.129735D+00 -0.647498D+00
               186           187           188           189           190 
      1   0.129735D+00 -0.216721D+01 -0.667124D-02  0.185755D+01 -0.720727D+01
      2  -0.647498D+00 -0.667124D-02 -0.733340D+00  0.130540D+00  0.139700D+00
      3  -0.563804D-01  0.185755D+01  0.130540D+00 -0.245405D+00  0.592800D+00
               191           192           193           194           195 
      1   0.139700D+00  0.592800D+00 -0.708286D-01 -0.887050D+00 -0.657592D+00
      2  -0.141015D+01 -0.831876D+00 -0.887050D+00  0.773921D+00  0.752971D+00
      3  -0.831876D+00 -0.194508D+01 -0.657592D+00  0.752971D+00  0.390508D+00
               196           197           198           199           200 
      1   0.458530D+00 -0.486014D+00 -0.838502D+00  0.402928D+01  0.303316D+01
      2  -0.486014D+00  0.530262D+00  0.572235D-01  0.303316D+01  0.294740D+01
      3  -0.838502D+00  0.572235D-01  0.974027D+00  0.208928D+01  0.126660D+01
               201           202           203           204           205 
      1   0.208928D+01  0.385897D+01  0.379379D+01  0.187207D+01  0.118334D+01
      2   0.126660D+01  0.379379D+01  0.516654D+01  0.258897D+01  0.856304D+00
      3   0.182268D+01  0.187207D+01  0.258897D+01  0.207605D+01  0.145428D+01
               206           207           208           209           210 
      1   0.856304D+00  0.145428D+01  0.116532D+01 -0.642011D+00  0.149953D+01
      2   0.132375D+01  0.114241D+01 -0.642011D+00  0.127580D+01 -0.657603D+00
      3   0.114241D+01  0.126765D+01  0.149953D+01 -0.657603D+00  0.155870D+01
               211           212           213           214           215 
      1  -0.150339D+01  0.127210D+01 -0.132836D+01  0.157759D+01 -0.652566D+00
      2   0.127210D+01 -0.320802D+01  0.254514D+01 -0.652566D+00  0.207168D+01
      3  -0.132836D+01  0.254514D+01 -0.366883D+01  0.153811D+01 -0.207759D+01
               216           217           218           219           220 
      1   0.153811D+01  0.394635D+00  0.407879D+00 -0.110971D+01 -0.377915D-02
      2  -0.207759D+01  0.407879D+00  0.600180D+00 -0.103414D+00  0.376768D+00
      3   0.395741D+01 -0.110971D+01 -0.103414D+00  0.111256D+01  0.946219D-01
               221           222           223           224           225 
      1   0.376768D+00  0.946219D-01 -0.152112D+01 -0.295393D+00  0.137369D+01
      2  -0.989076D-01 -0.645324D+00 -0.295393D+00 -0.131235D+01  0.280517D+00
      3  -0.645324D+00 -0.134943D+01  0.137369D+01  0.280517D+00 -0.874232D+01
               226           227           228           229           230 
      1   0.338946D+01  0.346847D+01 -0.518738D-01  0.354954D+01  0.431013D+01
      2   0.346847D+01  0.401836D+01 -0.237127D+00  0.431013D+01  0.735488D+01
      3  -0.518738D-01 -0.237127D+00  0.950916D+00 -0.206962D+00 -0.142809D+00
               231           232           233           234           235 
      1  -0.206962D+00  0.993656D+00  0.753546D+00  0.773718D+00 -0.556750D+01
      2  -0.142809D+00  0.753546D+00  0.152866D+01  0.631328D+00  0.128014D+01
      3   0.747431D+00  0.773718D+00  0.631328D+00 -0.170730D+00  0.428117D+00
               236           237           238           239           240 
      1   0.128014D+01  0.428117D+00  0.289623D+01  0.135424D+00 -0.130404D+00
      2  -0.180590D+01  0.264974D+00  0.135424D+00  0.210999D+01 -0.208958D-01
      3   0.264974D+00 -0.104494D+01 -0.130404D+00 -0.208958D-01  0.218024D+00
               241           242           243           244           245 
      1   0.602374D+00 -0.197536D+00 -0.414103D+00  0.433727D-01 -0.852963D+00
      2  -0.197536D+00  0.610977D+00  0.116464D+00 -0.852963D+00 -0.627807D+00
      3  -0.414103D+00  0.116464D+00 -0.369669D+00  0.116733D+01  0.208676D+00
               246           247           248           249           250 
      1   0.116733D+01 -0.126448D+01 -0.110766D+01  0.357798D+00  0.261378D+01
      2   0.208676D+00 -0.110766D+01 -0.861291D+00  0.112305D+01  0.378374D+00
      3  -0.109846D+01  0.357798D+00  0.112305D+01 -0.149631D+01 -0.181058D+01
               251           252           253           254           255 
      1   0.378374D+00 -0.181058D+01  0.742539D+01 -0.127179D+01 -0.219070D+01
      2   0.150450D+01 -0.133224D+01 -0.127179D+01 -0.314641D+01 -0.107430D+01
      3  -0.133224D+01  0.513729D+01 -0.219070D+01 -0.107430D+01 -0.161356D+01
               256           257           258           259           260 
      1  -0.419475D+01 -0.271687D+01 -0.132506D+01 -0.660641D+01 -0.152068D+01
      2  -0.271687D+01  0.510007D+01 -0.428219D+00 -0.152068D+01 -0.183371D+01
      3  -0.132506D+01 -0.428219D+00 -0.240849D+01 -0.210082D+01 -0.244791D+01
               261           262           263           264           265 
      1  -0.210082D+01 -0.112611D+01  0.143315D+01 -0.596525D+00  0.244817D+01
      2  -0.244791D+01  0.143315D+01 -0.161750D+01  0.424423D+00 -0.343629D+01
      3   0.267060D+01 -0.596525D+00  0.424423D+00 -0.439256D+00  0.856180D+00
               266           267           268           269           270 
      1  -0.343629D+01  0.856180D+00 -0.988878D-01 -0.214663D+00 -0.325182D+00
      2   0.896510D+01 -0.184980D+01 -0.214663D+00  0.410584D+00  0.628443D+00
      3  -0.184980D+01  0.161557D+01 -0.325182D+00  0.628443D+00 -0.688426D+00
               271           272           273           274           275 
      1  -0.143147D+00  0.443213D+00 -0.389199D+00  0.142274D+01  0.288262D+00
      2   0.443213D+00  0.483651D+00  0.213531D+00  0.288262D+00  0.141515D+00
      3  -0.389199D+00  0.213531D+00  0.418792D+00  0.374861D+00 -0.583653D+00
               276           277           278           279           280 
      1   0.374861D+00 -0.197126D+01 -0.217309D+00 -0.716122D+00 -0.148087D+02
      2  -0.583653D+00 -0.217309D+00 -0.125524D+01  0.332639D+00 -0.147321D+01
      3   0.125851D+01 -0.716122D+00  0.332639D+00 -0.601867D+01 -0.162166D+00
               281           282           283           284           285 
      1  -0.147321D+01 -0.162166D+00  0.979711D+00 -0.105166D+01  0.141467D+00
      2  -0.129755D+01 -0.153793D+00 -0.105166D+01 -0.500980D+00  0.101847D+00
      3  -0.153793D+00 -0.104791D+01  0.141467D+00  0.101847D+00  0.349839D+00
               286           287           288           289           290 
      1   0.211901D+01  0.401410D+00 -0.101587D+01 -0.865205D-01 -0.715505D+00
      2   0.401410D+00  0.515996D+00  0.109962D+00 -0.715505D+00  0.175347D+01
      3  -0.101587D+01  0.109962D+00  0.857695D-01  0.231730D+00  0.325056D+00
               291           292           293           294           295 
      1   0.231730D+00 -0.170370D+01 -0.583153D+00 -0.146767D+00  0.892269D+00
      2   0.325056D+00 -0.583153D+00 -0.915865D+01 -0.911594D+00  0.277069D+00
      3   0.417356D+00 -0.146767D+00 -0.911594D+00 -0.107566D+01  0.898923D-01
               296           297 
      1   0.277069D+00  0.898923D-01
      2   0.532305D+00 -0.709736D+00
      3  -0.709736D+00 -0.369178D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.193295D+01  0.121183D+01  0.368071D+01  0.923755D+01  0.174470D+01
      2  -0.116758D+01 -0.201803D+01  0.338730D+01 -0.398869D+01 -0.169975D+01
      3   0.155798D+02 -0.151018D+01 -0.140705D+01  0.131456D+02  0.187452D+01
                 6             7             8             9            10 
      1  -0.234636D+01  0.253526D+01  0.378605D+01  0.205517D+00 -0.229507D+01
      2   0.796052D+00 -0.378432D+01  0.766331D+00 -0.410241D+00 -0.711731D+00
      3  -0.512813D+01 -0.140706D+02 -0.227440D+01 -0.101499D+01 -0.380459D+02
                11            12            13            14            15 
      1  -0.455334D+00  0.161290D+01  0.311994D+01  0.468327D+01 -0.916888D+01
      2   0.484113D+00 -0.247129D+01  0.399200D+01 -0.353123D+00  0.341700D-02
      3  -0.173735D+01  0.116256D+01  0.103455D+02 -0.230264D+01 -0.926798D+00
                16            17            18            19            20 
      1  -0.361349D+01 -0.272228D+01 -0.371211D+01 -0.195648D+01 -0.598528D+00
      2  -0.232393D+02 -0.167388D+01 -0.384514D+01 -0.665254D+00 -0.247615D+01
      3  -0.112125D+01 -0.879886D+00 -0.127051D+01 -0.158655D+02 -0.191182D+00
                21            22            23            24            25 
      1  -0.214312D+01 -0.482910D+01  0.152445D+01  0.687380D+00 -0.104959D+01
      2   0.792733D+01 -0.273023D+01  0.161640D+01 -0.203946D+01 -0.667205D+01
      3   0.276101D+01  0.159816D+02 -0.105984D+01  0.253486D+01 -0.114954D+02
                26            27            28            29            30 
      1   0.358977D+01  0.257323D+01  0.965739D-01  0.153758D+01 -0.277156D+01
      2  -0.952083D+00  0.142705D+01  0.357852D+01  0.853689D+00 -0.321425D+01
      3   0.368787D+01  0.186995D+01  0.330938D+02 -0.648234D+00 -0.228447D+01
                31            32            33            34            35 
      1  -0.557613D+00  0.429005D+01 -0.938699D+01 -0.545938D+01 -0.181255D+01
      2   0.392259D+01 -0.140059D+00  0.240722D+01 -0.253602D+02  0.466032D+01
      3   0.779318D+01  0.512167D+01  0.975155D+00 -0.725566D+01 -0.106079D+01
                36            37            38            39            40 
      1  -0.301664D+01  0.559600D+00  0.904977D+00 -0.186921D+01  0.513225D+01
      2   0.134432D+01 -0.480860D+01 -0.200953D+01  0.363008D+01 -0.494436D+01
      3   0.221737D+01 -0.135763D+02 -0.532522D+00  0.322083D+01  0.728995D+01
                41            42            43            44            45 
      1  -0.191242D+01 -0.324151D+01  0.365896D+01  0.221106D+01 -0.189502D+01
      2  -0.171311D+01  0.128082D+01 -0.118873D+01  0.518322D+00 -0.227881D+01
      3   0.135159D+01 -0.258904D+01  0.199310D+02 -0.192831D+01 -0.465436D+01
                46            47            48            49            50 
      1   0.186044D+01 -0.183629D+01  0.136100D+01 -0.737147D+01 -0.218726D+01
      2   0.420251D+01 -0.269827D+01  0.950914D+01 -0.291061D+01  0.202336D+01
      3   0.204721D+02 -0.195069D+01  0.269644D+01  0.703228D+01 -0.144362D+01
                51            52            53            54            55 
      1  -0.230334D+01 -0.100486D+01  0.252203D+01 -0.334888D+00  0.138015D+01
      2  -0.361786D+01 -0.418559D+01 -0.129142D+01  0.284650D+01 -0.645581D+01
      3   0.273678D+01  0.156217D+02  0.706847D+00  0.266981D+01  0.240391D+02
                56            57            58            59            60 
      1   0.153668D+01 -0.229563D+00  0.354670D+01 -0.291475D+01  0.263305D+01
      2  -0.468268D+00 -0.355899D+01 -0.359399D+01 -0.117560D+02  0.849697D+01
      3   0.130804D+02 -0.806345D-01  0.400124D+02  0.104606D+02  0.819378D+01
                61            62            63            64            65 
      1  -0.561027D+00  0.789889D+01  0.398615D+01 -0.163699D+01  0.327779D-02
      2  -0.199741D+02  0.998999D+01  0.149955D+02  0.111728D+02 -0.431648D+00
      3   0.382498D+01  0.108077D+02 -0.579089D+01 -0.281798D+02 -0.170313D+02
                66            67            68            69            70 
      1  -0.892766D+00 -0.274095D+01 -0.217259D+01 -0.229728D+01  0.274180D+01
      2   0.746547D+01  0.397041D+01  0.154098D+02 -0.134797D+02 -0.837709D+00
      3   0.183505D+01 -0.272635D+02 -0.859548D+01 -0.134858D+02 -0.563957D+01
                71            72            73            74            75 
      1   0.534692D+01  0.204206D+01 -0.183885D+01 -0.619159D+01  0.938958D+00
      2  -0.113246D+02 -0.177924D+02 -0.178354D+02  0.527668D+01  0.228245D+01
      3  -0.146780D+02  0.928826D+01  0.173999D+02  0.921434D+01 -0.258170D+01
                76            77            78            79            80 
      1  -0.869561D+01  0.132875D+01 -0.139190D+02  0.871371D+00 -0.692668D+01
      2   0.649728D+01 -0.100746D+02  0.128414D+02  0.255468D+01  0.107069D+02
      3   0.169155D+02  0.210394D+01  0.160082D+02 -0.309500D+01  0.118241D+02
                81            82            83            84            85 
      1   0.321989D+01  0.594124D+01  0.410873D+01  0.172010D+01  0.609755D+01
      2   0.128304D+02  0.548773D+00 -0.373393D+01 -0.302981D+01 -0.729546D+01
      3  -0.107087D+02  0.246645D+02  0.461023D+01 -0.234600D+01  0.824715D+01
                86            87            88            89            90 
      1   0.918463D+01 -0.531952D+01  0.333313D+01  0.228378D+01 -0.156175D+02
      2  -0.142688D+02  0.124530D+02 -0.620100D+01  0.801751D+01  0.197285D+02
      3   0.166276D+01  0.100799D+02  0.884071D+00  0.115868D+02 -0.863197D+01
                91            92            93            94            95 
      1   0.164254D+01 -0.108262D+01  0.152846D+01  0.655645D+00 -0.171950D+01
      2  -0.106454D+02  0.117888D+00 -0.187976D+01 -0.716981D+00 -0.439281D+01
      3  -0.384148D+01  0.302632D+00 -0.722499D+00  0.322871D+02 -0.168673D+02
                96            97            98            99           100 
      1  -0.219749D+01  0.104243D+01  0.517203D+01  0.253678D+00  0.146887D+01
      2  -0.961840D+01 -0.162756D+02 -0.919557D+01  0.106026D+02  0.532448D+01
      3  -0.101192D+01  0.187043D+01 -0.731559D+00  0.639916D+01  0.131844D+02
               101           102           103           104           105 
      1   0.146377D+01 -0.344898D+01  0.778857D+00 -0.151968D+01  0.193597D+01
      2  -0.372161D+01  0.791192D+01 -0.191740D+01  0.544077D+01  0.170254D+02
      3  -0.157139D+02  0.164515D+01 -0.723685D+01  0.116324D+01 -0.415588D+01
               106           107           108           109           110 
      1  -0.350393D+01 -0.125596D+01  0.446457D+01 -0.338475D+01 -0.200147D+01
      2  -0.143898D+01  0.132114D+02  0.856782D+01 -0.828486D+01  0.214748D+01
      3   0.963655D+01 -0.121885D+02 -0.101919D+02 -0.236409D+00 -0.150073D+00
               111           112           113           114           115 
      1   0.194363D+01 -0.190889D+01  0.411742D+01 -0.659672D+01  0.606132D+00
      2   0.398326D+01 -0.146206D+01 -0.105658D+02 -0.139366D+02  0.152079D+01
      3  -0.135558D+00 -0.377596D+01  0.191453D+02  0.121671D+02 -0.107100D+02
               116           117           118           119           120 
      1   0.660165D+01 -0.102893D+02  0.417486D+01 -0.816121D+00  0.324863D+00
      2  -0.122831D+02 -0.301765D+02  0.597513D+01 -0.666605D+00  0.166582D+01
      3   0.175415D+02  0.123925D+02 -0.354256D+01  0.449270D+01 -0.272468D+01
               121           122           123           124           125 
      1  -0.172813D+01  0.467573D+01 -0.135437D+01 -0.124180D+01  0.634867D+01
      2   0.215689D+00  0.337957D+01 -0.734288D+00 -0.147964D+01 -0.396083D+01
      3   0.861734D+01 -0.189466D+02 -0.140632D+01  0.222077D+01 -0.573569D+01
               126           127           128           129           130 
      1   0.777951D+01  0.298445D+01  0.125138D+01  0.275355D+01 -0.185015D+01
      2   0.150499D+02 -0.463109D+01 -0.352841D-01 -0.152583D+00  0.128911D+01
      3   0.519845D+01 -0.534015D+01 -0.100627D+01 -0.252630D+01  0.377953D+01
               131           132           133           134           135 
      1   0.241765D+00 -0.367877D+01  0.297157D+01  0.124827D+01  0.500881D+01
      2   0.171257D+00 -0.113421D+01 -0.264042D+01 -0.520719D+00  0.221879D+01
      3   0.610432D+00  0.841719D+00 -0.315993D+01 -0.148718D+01 -0.182567D+01
               136           137           138           139           140 
      1   0.207947D+01 -0.885219D+00 -0.249546D+01  0.935946D+00  0.156471D+00
      2   0.426138D+01  0.418894D+00 -0.100400D+01  0.521540D+00  0.514809D-02
      3   0.296102D+01 -0.355273D-01 -0.216158D+01  0.167901D+01 -0.201220D+00
               141           142           143           144           145 
      1  -0.358825D+01 -0.195774D+01  0.212242D+01  0.610893D+01 -0.440852D+01
      2   0.660145D+00 -0.454760D+01 -0.454253D+00 -0.549518D+00 -0.108323D+02
      3  -0.668731D+00 -0.262480D+01  0.821154D+00  0.226479D+01  0.133589D+01
               146           147           148           149           150 
      1   0.430380D+01 -0.781828D+00  0.313307D+01 -0.261295D+01 -0.657771D+00
      2   0.330559D+01 -0.119259D+01  0.466542D+01 -0.230452D+01  0.988066D-01
      3  -0.203540D+01  0.747482D+00 -0.315977D-01  0.159043D+01 -0.162337D+00
               151           152           153           154           155 
      1  -0.121165D+01  0.363496D+01 -0.310684D+01 -0.243256D+01 -0.208209D+01
      2  -0.392106D+01 -0.207298D+00  0.339062D+00  0.465549D+01  0.117324D+01
      3   0.448510D+00 -0.219855D+01  0.171518D+01 -0.663405D+00 -0.994910D+00
               156           157           158           159           160 
      1   0.125389D+01 -0.549617D+00 -0.117542D+01 -0.231299D+00  0.328212D+01
      2  -0.103196D+01  0.449578D+00  0.892622D-01  0.441256D+00 -0.493772D+01
      3   0.989950D+00  0.107080D+01 -0.366968D+00  0.299623D+00  0.136389D+01
               161           162           163           164           165 
      1   0.535431D+01 -0.551283D+01 -0.126221D+01 -0.539764D+00  0.138839D+01
      2  -0.527127D+00 -0.208755D+01 -0.578003D+01  0.847125D+00  0.549558D+01
      3   0.223044D+01 -0.188883D+01 -0.109547D+01 -0.400391D+01  0.621380D+00
               166           167           168           169           170 
      1  -0.170278D+00 -0.182525D+00 -0.218440D+01  0.267319D+01  0.965490D+00
      2   0.169479D+01 -0.322668D+01 -0.474528D+01  0.507767D+01 -0.894473D+01
      3  -0.481036D+01  0.218204D+01  0.295979D+01  0.351816D+01  0.589634D+01
               171           172           173           174           175 
      1  -0.686614D+01  0.174974D+01 -0.125598D+01  0.177644D+01 -0.230746D+01
      2  -0.215187D+02  0.644395D+01 -0.248838D+01  0.488982D+01 -0.294753D+01
      3   0.430626D+01  0.221669D+01 -0.712137D+01  0.228394D+00 -0.513506D+01
               176           177           178           179           180 
      1   0.373435D+01 -0.462895D+01  0.181569D+01 -0.204596D+01  0.298539D+01
      2   0.736378D+01 -0.555876D+01  0.428599D+01 -0.668944D+01  0.445978D+01
      3   0.144361D+02 -0.401285D+01 -0.288237D+01 -0.908025D+01  0.380212D+01
               181           182           183           184           185 
      1   0.283271D+00 -0.542880D+00 -0.217462D+00  0.864936D-01  0.447726D+00
      2  -0.336088D+01  0.545541D+00  0.918292D+01 -0.369987D+00 -0.295983D+01
      3   0.553385D+01 -0.868755D+01 -0.820325D+00 -0.181624D+01  0.465475D+01
               186           187           188           189           190 
      1  -0.106471D+01 -0.484181D+00  0.100441D+01 -0.163276D+00 -0.206302D+01
      2   0.118601D+00  0.576504D+01  0.680227D+00 -0.516443D+00  0.202810D+02
      3   0.313280D+01  0.565861D+00  0.387555D+01 -0.880941D+00 -0.917831D+01
               191           192           193           194           195 
      1  -0.278549D+01  0.131619D+01 -0.181001D+01  0.100480D+00 -0.109946D+00
      2  -0.324880D+01 -0.758854D+01 -0.225309D+01  0.498965D+01  0.198844D+01
      3   0.379029D+01  0.399285D+01  0.512430D+01 -0.276285D+01 -0.316220D+01
               196           197           198           199           200 
      1   0.661979D+00  0.189241D+01 -0.446075D+00  0.337646D+01  0.509833D+01
      2  -0.750428D+01  0.976874D+00  0.474429D+01  0.213282D+01  0.334556D+00
      3   0.265128D+01 -0.176884D+01 -0.120272D+01 -0.874451D+01 -0.114196D+02
               201           202           203           204           205 
      1  -0.602385D+00  0.548551D+01  0.753617D+01  0.704554D-01  0.922794D+00
      2   0.608975D+01 -0.109479D+00  0.477705D+01  0.700064D+01  0.228849D+01
      3  -0.356766D+01 -0.999424D+01 -0.192572D+02 -0.915293D+01 -0.161010D+01
               206           207           208           209           210 
      1   0.286136D+01  0.579379D+00 -0.241547D+01  0.322102D+01 -0.199448D+01
      2   0.276869D+01  0.320979D+01  0.524596D+01 -0.142254D+01  0.495540D+01
      3  -0.510798D+01 -0.360830D+01  0.242527D+01 -0.591711D+01  0.321671D+01
               211           212           213           214           215 
      1   0.271831D+01 -0.961054D+01  0.533486D+01 -0.221186D+01  0.794445D+01
      2  -0.114495D+01  0.870110D+01 -0.138043D+02  0.109455D+01 -0.765194D+01
      3  -0.315439D+01  0.139479D+02 -0.990186D+01  0.246781D+01 -0.869266D+01
               216           217           218           219           220 
      1  -0.598150D+01  0.133231D+01 -0.711786D+00 -0.154983D+01 -0.368304D+00
      2   0.136963D+02 -0.428756D+01 -0.184864D+00  0.331745D+01 -0.371495D+00
      3   0.850903D+01 -0.221965D+01 -0.246000D+01 -0.932900D+00 -0.348513D+00
               221           222           223           224           225 
      1   0.186916D+01  0.228257D+01 -0.161360D+01  0.504911D+01  0.158056D+02
      2  -0.188275D+01 -0.533061D+01 -0.530279D+00  0.365983D+00 -0.306931D+02
      3   0.140268D+01  0.191899D+01 -0.127034D+01  0.472855D+01 -0.907825D+00
               226           227           228           229           230 
      1  -0.397149D+01 -0.441075D+01 -0.313574D+01 -0.542554D+01 -0.848144D+01
      2   0.324443D+01  0.242287D+01  0.535203D+01  0.349207D+01  0.380887D+01
      3  -0.696997D+01 -0.112357D+02  0.123078D+01 -0.649074D+01 -0.216977D+02
               231           232           233           234           235 
      1  -0.397846D+01 -0.218255D+01 -0.161780D+01 -0.824568D+00 -0.150122D+01
      2   0.375788D+01  0.327871D+01  0.271620D+01  0.234944D+00 -0.736521D+01
      3   0.388968D+00 -0.824613D+00 -0.516104D+01 -0.120664D+01 -0.216848D+02
               236           237           238           239           240 
      1   0.142625D+01  0.274999D+01 -0.274172D+00 -0.228184D+01 -0.863197D+00
      2   0.256772D+01 -0.135350D+01  0.332257D+01 -0.100257D+00 -0.532893D+00
      3   0.669723D+01 -0.426086D-01  0.589046D+01 -0.688277D+01 -0.427249D+00
               241           242           243           244           245 
      1   0.181064D+01  0.703715D+00  0.149588D+00  0.119488D-01 -0.455782D+00
      2  -0.308133D+01 -0.359364D+00 -0.181456D+01 -0.485453D+01 -0.371279D+00
      3   0.155029D+01 -0.250058D+01 -0.139239D+01 -0.302880D+01 -0.209909D+01
               246           247           248           249           250 
      1  -0.608788D+00 -0.116547D+00  0.233097D+00 -0.157634D+01 -0.625331D+00
      2   0.375602D+01  0.172610D+00 -0.288964D+01  0.502335D+01  0.844589D+00
      3   0.333714D-01 -0.758106D+00 -0.193843D+01  0.293489D+01 -0.107306D+01
               251           252           253           254           255 
      1   0.234527D+01  0.244536D+01 -0.189896D+01  0.724029D+00 -0.232758D+01
      2   0.420978D+01 -0.159002D+02  0.182802D+02  0.448850D+01  0.830783D+01
      3   0.438924D+01 -0.303034D+01 -0.161555D+02 -0.117471D+02 -0.617143D+00
               256           257           258           259           260 
      1  -0.132332D+01 -0.626541D+01 -0.554597D+01 -0.122396D+01 -0.108619D+01
      2   0.401066D+01  0.169006D+00  0.835044D+01  0.568460D+01  0.931372D+01
      3  -0.301153D+01  0.238960D+02  0.912956D+00  0.180608D+01 -0.249373D+01
               261           262           263           264           265 
      1   0.755683D+01  0.794843D-01  0.470143D+00  0.765356D+00  0.951520D+00
      2  -0.149720D+02  0.136385D+01 -0.806264D+00  0.142798D+01 -0.137077D+01
      3  -0.661888D+01  0.307415D+01 -0.372783D+01  0.137133D+01 -0.666306D+01
               266           267           268           269           270 
      1  -0.385497D+01 -0.324168D+01 -0.385688D+00  0.441741D+00 -0.528535D+00
      2   0.473793D+01 -0.550284D+01  0.343167D+00 -0.151687D+01  0.175132D+01
      3   0.278650D+02 -0.564195D+01 -0.600482D+00  0.154555D+01  0.186723D+01
               271           272           273           274           275 
      1  -0.170589D+01 -0.748509D+00  0.446028D+00 -0.814808D-01 -0.207557D+01
      2   0.454809D+01  0.223777D+00 -0.222341D+01  0.140071D+01  0.302855D+01
      3   0.213901D+01  0.885112D+00  0.900039D+00  0.654636D+00  0.432021D+00
               276           277           278           279           280 
      1   0.193480D+01 -0.136058D+00  0.464185D+01 -0.100669D+02  0.791802D+00
      2  -0.528856D+01 -0.272612D+01 -0.236607D+01  0.239959D+02 -0.903924D+01
      3  -0.255315D+01  0.126925D+01 -0.449235D+01  0.279692D+01  0.149582D+02
               281           282           283           284           285 
      1   0.769998D+00 -0.185238D+01  0.845612D+00  0.483989D+00  0.166535D-01
      2  -0.116857D+00  0.793895D+01 -0.590808D+00 -0.103585D+01 -0.127609D+01
      3  -0.654941D+01 -0.721385D+00 -0.412459D+01 -0.491964D+00  0.365418D+00
               286           287           288           289           290 
      1  -0.170761D+01  0.859686D+00 -0.894372D-01  0.102533D+01 -0.631598D+00
      2   0.405213D+01 -0.692802D+00 -0.557879D+00 -0.873877D+00 -0.165061D+01
      3  -0.139420D+01  0.162012D+01  0.196617D+01 -0.405812D+01  0.639021D+01
               291           292           293           294           295 
      1   0.136067D+01 -0.276398D+00  0.595592D+01 -0.380680D+01  0.596191D+00
      2  -0.138358D+01 -0.899142D+00  0.365199D+01  0.385600D+01 -0.155248D+01
      3   0.360381D+00  0.403681D+01 -0.317371D+02 -0.240523D+01 -0.803188D+00
               296           297 
      1  -0.319939D+00 -0.541417D-01
      2   0.236048D+01  0.141159D+01
      3   0.119852D+01 -0.243733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.691995D+01  0.117312D+02 -0.237536D+02 -0.123138D+01 -0.139524D+02
      2   0.206637D+01 -0.966832D+01  0.798538D+01 -0.710358D+01  0.230480D+02
      3   0.485358D+01 -0.206291D+01  0.157682D+02  0.833495D+01 -0.909564D+01
      4   0.113591D+02 -0.295403D+00  0.619463D+01  0.908701D+01 -0.658661D+01
      5  -0.123655D+02  0.544895D+01 -0.666523D+00  0.944643D+01  0.321743D+01
      6   0.440403D+01  0.533864D+01 -0.545103D+01 -0.580093D+00 -0.681824D+01
                 6             7             8             9            10 
      1   0.651731D+01  0.360874D+02 -0.236959D+01  0.102435D+02  0.494270D+02
      2  -0.125397D+02 -0.100990D+02 -0.197276D+01 -0.557911D+01 -0.237838D+02
      3   0.602239D+01 -0.259883D+02  0.434235D+01 -0.466437D+01 -0.256432D+02
      4   0.220335D+01 -0.438535D+01  0.129670D+01  0.641436D+01 -0.993487D+01
      5   0.694315D+01  0.625574D+01  0.670703D+01 -0.506627D+01 -0.675930D+01
      6   0.449440D+01  0.105783D+02 -0.248116D+01  0.669563D+01  0.254990D+01
                11            12            13            14            15 
      1   0.867631D+01 -0.123939D+01  0.117318D+02 -0.324035D+01  0.555639D+01
      2  -0.851582D+01  0.348086D+01 -0.140675D+02  0.737737D+01 -0.106868D+01
      3  -0.160489D+00 -0.224147D+01  0.233568D+01 -0.413702D+01 -0.448772D+01
      4   0.749116D+00 -0.319531D+01  0.137497D+02 -0.913365D+01 -0.701612D+00
      5  -0.374181D+01  0.938617D+01  0.138912D+02  0.904151D+00 -0.403042D+01
      6   0.952459D+00 -0.742645D+01 -0.377555D+01  0.444989D+01  0.885704D+01
                16            17            18            19            20 
      1  -0.695244D+01  0.634639D+01 -0.186131D+02  0.711372D+01 -0.137098D+02
      2  -0.231452D+01  0.453346D+01  0.213873D+01  0.739685D+00  0.131008D+02
      3   0.926696D+01 -0.108798D+02  0.164744D+02 -0.785340D+01  0.608983D+00
      4   0.158532D+02 -0.251434D+00 -0.247184D+01 -0.936504D+01 -0.576631D+00
      5  -0.155268D+02 -0.355917D+01 -0.277858D+01  0.134137D+02  0.198712D+01
      6  -0.519838D+01  0.131184D+01 -0.402195D+01 -0.172918D+01 -0.631364D+01
                21            22            23            24            25 
      1   0.220027D+02  0.428890D+01 -0.119858D+02 -0.482338D+01 -0.175794D+02
      2  -0.125441D+02  0.401084D+01  0.182215D+02 -0.109113D+02  0.105207D+01
      3  -0.945866D+01 -0.829975D+01 -0.623568D+01  0.157347D+02  0.165274D+02
      4   0.272643D+01  0.143509D+02  0.660615D+01 -0.232450D+01 -0.372834D+01
      5  -0.111638D+02 -0.103362D+01 -0.146816D+01 -0.128137D+01  0.928368D+01
      6   0.684563D+01 -0.481084D+00 -0.781104D+01  0.618774D+01 -0.101480D+02
                26            27            28            29            30 
      1  -0.350127D+01  0.731341D+01  0.171153D+02 -0.398109D+01  0.276295D+01
      2  -0.391872D+01 -0.917018D+00 -0.385393D+01  0.743330D+01  0.329065D+00
      3   0.741999D+01 -0.639639D+01 -0.132614D+02 -0.345221D+01 -0.309202D+01
      4  -0.215784D+01 -0.573474D+01  0.187518D+02  0.199688D+01 -0.226151D+01
      5  -0.580215D+01  0.726392D+01  0.385453D+01 -0.184659D+01  0.739630D+01
      6   0.177558D+01  0.770201D+01  0.350811D+01 -0.101812D+01  0.554270D+01
                31            32            33            34            35 
      1  -0.353705D+01 -0.174155D+01  0.711159D+01 -0.701133D+01  0.875045D+01
      2   0.844240D+01  0.516751D+01 -0.208782D+01  0.160545D+01  0.307136D+01
      3  -0.490535D+01 -0.342595D+01 -0.502376D+01  0.540588D+01 -0.118218D+02
      4   0.134897D+02  0.125258D+01  0.160373D+01  0.112960D+02  0.542926D+01
      5   0.124921D+02  0.287223D+00  0.149165D+01 -0.182022D+02  0.340516D+01
      6  -0.135083D+01  0.361618D+01  0.608957D+01 -0.912175D+00  0.491386D+00
                36            37            38            39            40 
      1  -0.169555D+02 -0.395323D+01  0.512467D+01 -0.247176D+02 -0.857402D+01
      2   0.299127D+01 -0.163831D+01 -0.164964D+01  0.648978D+01 -0.186625D+01
      3   0.139642D+02  0.559154D+01 -0.347504D+01  0.182278D+02  0.104403D+02
      4   0.180791D+01  0.631277D+01 -0.167766D+01  0.308880D+01  0.319328D+01
      5   0.128911D+01 -0.167979D+02  0.279152D+01 -0.189802D+01  0.123218D+01
      6  -0.675908D+01  0.295683D+01  0.561858D+01  0.669506D+01  0.261565D+01
                41            42            43            44            45 
      1  -0.592510D+01 -0.579195D+01  0.219002D+02 -0.895341D+01  0.647670D+01
      2   0.578733D+01  0.248887D+00 -0.236572D-01  0.158100D+01 -0.128675D+01
      3   0.137773D+00  0.554306D+01 -0.218765D+02  0.737241D+01 -0.518995D+01
      4  -0.341363D+00  0.349006D+01  0.204698D+01  0.391154D+01  0.610528D+01
      5   0.157268D+01  0.738797D+01  0.115812D+02  0.515216D+01 -0.592167D+01
      6   0.299320D+01  0.852803D+01  0.106139D+02  0.277272D+01  0.106536D+02
                46            47            48            49            50 
      1  -0.481958D+00 -0.855527D+01  0.210104D+02  0.122644D+02 -0.275404D+01
      2   0.690789D+01  0.335097D+01 -0.752662D+01 -0.335647D+01  0.286389D+01
      3  -0.642593D+01  0.520430D+01 -0.134837D+02 -0.890795D+01 -0.109846D+00
      4  -0.399429D+01  0.259637D+01 -0.174700D+01  0.823939D+01  0.449467D+01
      5   0.200160D+02  0.139411D+00 -0.823520D+01 -0.838426D+01 -0.381628D+01
      6   0.430719D+00 -0.386432D+01  0.310786D-01 -0.157972D+01  0.459588D+01
                51            52            53            54            55 
      1  -0.174578D+02 -0.227603D+02 -0.960682D+01  0.404368D+01 -0.271683D+02
      2   0.308064D+01  0.366900D+01  0.255970D+01  0.453738D+01  0.126055D+02
      3   0.143772D+02  0.190913D+02  0.704712D+01 -0.858106D+01  0.145628D+02
      4  -0.434247D+01  0.363538D+01 -0.258301D+01 -0.468101D+01 -0.831674D+01
      5  -0.246257D+01  0.989911D+01 -0.365237D+01  0.591598D+01 -0.551427D+01
      6   0.133656D+02 -0.573964D+01  0.666792D+01  0.138468D+02  0.141231D+01
                56            57            58            59            60 
      1  -0.101255D+02 -0.521932D+01 -0.345370D+02 -0.253120D+02  0.152928D+01
      2   0.689412D+01  0.298073D+00  0.242843D+02  0.697218D+01  0.603546D+01
      3   0.323138D+01  0.492125D+01  0.102527D+02  0.183398D+02 -0.756474D+01
      4  -0.280868D+02  0.107739D+01 -0.472839D+02  0.106962D+02 -0.154922D+02
      5   0.584011D+00 -0.135562D+02 -0.748392D+00 -0.152480D+02  0.153161D+02
      6   0.114191D+00  0.149749D+01 -0.335244D+00  0.441188D+01 -0.563081D+01
                61            62            63            64            65 
      1  -0.151262D+02  0.697494D+00 -0.384516D+01 -0.871875D+02  0.292873D+02
      2  -0.174007D+01  0.742990D+01  0.681329D+01  0.472834D+02 -0.131694D+02
      3   0.168663D+02 -0.812739D+01 -0.296813D+01  0.399041D+02 -0.161179D+02
      4  -0.605181D+00 -0.202585D+02  0.273067D+02  0.285661D+02  0.258871D+02
      5  -0.249392D+02  0.239131D+02  0.347863D+02  0.229997D+02 -0.266377D+01
      6   0.116497D+02 -0.571525D+01 -0.107447D+02  0.990195D+00 -0.309071D+01
                66            67            68            69            70 
      1   0.229779D+02  0.612391D+02  0.254279D+02 -0.767608D+01  0.333160D+02
      2  -0.132002D+02 -0.280840D+02 -0.124430D+02  0.847190D+01 -0.133257D+02
      3  -0.977777D+01 -0.331551D+02 -0.129850D+02 -0.795814D+00 -0.199903D+02
      4  -0.161662D+01  0.311185D+02  0.954351D+01  0.236680D+02  0.306940D+01
      5   0.939162D+01 -0.133444D+01  0.251605D+02 -0.242440D+02  0.308920D+00
      6   0.217211D+01  0.178994D+01  0.704141D+01 -0.559562D+01 -0.315245D+01
                71            72            73            74            75 
      1  -0.376721D+01  0.526450D+01  0.385932D+02 -0.225364D+02 -0.181152D+02
      2   0.827063D+01 -0.195869D+01 -0.207414D+02  0.451789D+01  0.103151D+02
      3  -0.450342D+01 -0.330581D+01 -0.178518D+02  0.180185D+02  0.780011D+01
      4   0.225362D+02 -0.190179D+02 -0.208940D+02 -0.318518D+02 -0.548793D+01
      5  -0.196774D+02 -0.333903D+02 -0.981482D+01 -0.764207D+01 -0.182118D+02
      6  -0.657745D+01 -0.546106D+01 -0.145723D+02 -0.901610D+01 -0.658358D+00
                76            77            78            79            80 
      1  -0.288891D+02 -0.268852D+02 -0.135006D+01 -0.202528D+02  0.115630D+01
      2   0.557568D+01  0.175114D+02 -0.129383D+02  0.102476D+02 -0.124748D+02
      3   0.233134D+02  0.937380D+01  0.142884D+02  0.100053D+02  0.113185D+02
      4  -0.404795D+02 -0.135475D+02 -0.361864D+02 -0.148286D+01 -0.253064D+02
      5  -0.798454D+01 -0.427956D+02  0.244925D+02 -0.105018D+02  0.213799D+02
      6  -0.145468D+02 -0.640680D+01 -0.936736D+01  0.203819D+01 -0.779535D+01
                81            82            83            84            85 
      1  -0.117667D+02  0.369323D+02 -0.211195D+02 -0.119398D+02 -0.305411D+02
      2   0.753760D+00 -0.357976D+02 -0.458577D+00  0.572085D+01  0.815121D+00
      3   0.110130D+02 -0.113474D+01  0.215781D+02  0.621897D+01  0.297260D+02
      4   0.186141D+02 -0.177769D+02 -0.390857D+02 -0.113778D+00 -0.414344D+02
      5   0.144408D+02 -0.145498D+02  0.613417D+01 -0.595638D+01  0.434375D+01
      6   0.142514D+02  0.123860D+01  0.457587D+01 -0.333331D+01  0.338579D+01
                86            87            88            89            90 
      1  -0.283733D+02  0.926415D+01 -0.136315D+02  0.314365D+01 -0.938921D+00
      2   0.719895D+00 -0.619671D+01  0.870301D+00 -0.696519D+01  0.242002D+02
      3   0.276535D+02 -0.306743D+01  0.127612D+02  0.382153D+01 -0.232612D+02
      4  -0.321802D+02 -0.148715D+02 -0.102243D+02 -0.226452D+02  0.120885D+02
      5  -0.126444D+02  0.233787D+02 -0.412886D+01  0.155390D+02  0.474190D+02
      6  -0.656639D+01  0.117717D+02 -0.135775D+01  0.110162D+02  0.952358D+01
                91            92            93            94            95 
      1   0.445762D+01 -0.340821D+01 -0.696870D+01 -0.746775D+01 -0.159912D+02
      2  -0.477008D+01 -0.116946D+01  0.128786D+01  0.789000D+01  0.757974D+01
      3   0.312456D+00  0.457767D+01  0.568084D+01 -0.422252D+00  0.841148D+01
      4  -0.159407D+02 -0.156625D+02 -0.493858D+01 -0.355333D+02  0.176256D+02
      5  -0.181118D+02 -0.319832D+01 -0.110275D+02 -0.109716D+02 -0.647725D+01
      6  -0.697874D+00 -0.612628D+01 -0.675146D+01 -0.213169D+01  0.200021D+01
                96            97            98            99           100 
      1  -0.733891D+01 -0.193837D+02 -0.802800D+01 -0.512640D+01  0.816845D+01
      2   0.342527D+01  0.403304D+01 -0.125256D+01  0.666291D+01 -0.297238D+01
      3   0.391365D+01  0.153507D+02  0.928057D+01 -0.153651D+01 -0.519607D+01
      4  -0.637529D+01 -0.194992D+02 -0.708966D+01 -0.215964D+02  0.934514D+01
      5  -0.193585D+02 -0.198280D+02 -0.204214D+02  0.205529D+02  0.115678D+02
      6  -0.310237D+01 -0.968958D+01 -0.498015D+01  0.726647D+01 -0.567703D+01
               101           102           103           104           105 
      1   0.269317D+01  0.430515D+01  0.141903D+02  0.587270D+01  0.166707D+01
      2  -0.615989D+00 -0.285565D+01 -0.130235D+02 -0.501161D+00  0.348284D+01
      3  -0.207718D+01 -0.144950D+01 -0.116684D+01 -0.537154D+01 -0.514991D+01
      4   0.164521D+01 -0.397997D+01 -0.205540D+01 -0.109343D+02  0.974633D+01
      5  -0.524437D+01 -0.335601D+01 -0.122661D+02  0.118735D+02  0.327575D+02
      6   0.390902D+01  0.707164D+01  0.568446D+01 -0.116108D+02 -0.195376D+02
               106           107           108           109           110 
      1   0.146354D+02  0.534555D+00  0.461733D+00  0.174113D+02 -0.139297D+02
      2  -0.119916D+01 -0.909983D+01  0.247854D+01 -0.105388D+02  0.655659D+01
      3  -0.134362D+02  0.856527D+01 -0.294027D+01 -0.687252D+01  0.737311D+01
      4  -0.117581D+02  0.256615D+02  0.251552D+02 -0.192058D+02  0.167982D+02
      5  -0.210731D+02  0.260769D+02  0.176539D+02 -0.278520D+02  0.928390D+01
      6   0.135618D+02 -0.225498D+02 -0.126053D+02  0.115696D+02 -0.292813D+01
               111           112           113           114           115 
      1  -0.210288D+02 -0.132446D+02 -0.852223D+01 -0.694086D+01 -0.256783D+02
      2   0.134880D+02  0.367443D+01  0.175871D+02  0.459571D+01  0.153069D+02
      3   0.754079D+01  0.957013D+01 -0.906487D+01  0.234515D+01  0.103714D+02
      4   0.121012D+02  0.272886D+02 -0.335339D+02 -0.239314D+02  0.242918D+02
      5   0.207401D+02  0.181300D+02 -0.261776D+02 -0.285717D+02  0.358507D+02
      6  -0.503869D+01 -0.825764D+01  0.249871D+02  0.268933D+02 -0.143712D+02
               116           117           118           119           120 
      1  -0.578455D+01 -0.637330D+01  0.618347D+01 -0.316170D+01  0.119274D+02
      2   0.758834D+01 -0.139678D+02 -0.675490D+01  0.787579D+01 -0.786413D+01
      3  -0.180379D+01  0.203411D+02  0.571428D+00 -0.471409D+01 -0.406331D+01
      4  -0.324500D+02 -0.262899D+02  0.189228D+01 -0.741081D+01 -0.354159D+01
      5  -0.292917D+02 -0.651096D+02  0.104783D+02  0.108990D+01  0.742374D+01
      6   0.280439D+02  0.366373D+02 -0.385767D+01 -0.173163D+01 -0.155124D+01
               121           122           123           124           125 
      1   0.127780D+01 -0.392474D+01  0.300550D+01  0.169069D+02  0.122478D+01
      2   0.990243D+01 -0.180336D+02 -0.138982D+00 -0.931046D+01 -0.225932D+01
      3  -0.111802D+02  0.219583D+02 -0.286652D+01 -0.759643D+01  0.103454D+01
      4  -0.182176D+02  0.464753D+02  0.578148D+00 -0.965217D+01  0.102914D+02
      5   0.156543D+01  0.190398D-01 -0.204894D+01  0.168715D+02 -0.109910D+02
      6  -0.398802D+01  0.370016D+01  0.700012D+01 -0.460945D+01  0.133585D+02
               126           127           128           129           130 
      1  -0.156239D+01  0.265414D+01  0.241089D+01 -0.137879D+01 -0.241746D+00
      2  -0.708845D+01 -0.244266D+01 -0.267221D+01 -0.167869D+01  0.889581D+00
      3   0.865083D+01 -0.211482D+00  0.261321D+00  0.305748D+01 -0.647834D+00
      4  -0.102786D+02 -0.991538D+01  0.755764D+01 -0.789670D+01  0.524555D+01
      5   0.301137D+02  0.152510D+02 -0.545605D+01  0.138286D+02 -0.771077D+01
      6  -0.173138D+02 -0.842819D+01  0.588473D+01 -0.856596D+01  0.548994D+01
               131           132           133           134           135 
      1  -0.350902D+01  0.464095D+01 -0.388824D+01  0.772336D+01 -0.140947D+02
      2   0.177370D+01  0.109757D+00 -0.185327D+01 -0.411349D+01 -0.203219D+01
      3   0.173532D+01 -0.475071D+01  0.574151D+01 -0.360987D+01  0.161269D+02
      4  -0.549392D+01  0.569024D+01 -0.842927D+01  0.750072D+01 -0.104457D+02
      5   0.491535D+01 -0.825354D+01  0.150649D+02 -0.762449D+01  0.202074D+02
      6  -0.609366D+01  0.853456D+01 -0.103983D+02  0.119062D+02 -0.185524D+02
               136           137           138           139           140 
      1  -0.274463D+01 -0.177749D+01  0.556285D+01 -0.214626D+01 -0.407086D+01
      2  -0.265598D+01  0.312730D+00  0.282349D+01 -0.532422D+00  0.775139D+00
      3   0.540062D+01  0.146476D+01 -0.838634D+01  0.267868D+01  0.329572D+01
      4   0.520477D+01  0.366352D+01 -0.534911D+01  0.201814D+01  0.151306D+01
      5  -0.865055D+01 -0.324567D+01  0.112394D+02 -0.303290D+01 -0.219627D+01
      6  -0.589973D+01 -0.347782D+01  0.643731D+01 -0.273535D+01 -0.463028D+01
               141           142           143           144           145 
      1   0.775569D+01  0.723978D+01  0.103418D+02 -0.279921D+02  0.642257D+01
      2   0.696678D+00  0.199309D+01 -0.302786D+01 -0.528436D+01 -0.578913D+01
      3  -0.845237D+01 -0.923287D+01 -0.731397D+01  0.332765D+02 -0.633438D+00
      4  -0.258767D+01 -0.569339D+01 -0.510573D+01  0.781120D+01 -0.527662D+01
      5   0.344506D+01  0.103430D+02  0.481987D+01 -0.160248D+02  0.118443D+02
      6   0.812078D+01  0.848177D+01  0.126461D+02 -0.233243D+02 -0.102548D+01
               146           147           148           149           150 
      1  -0.174187D+01 -0.157086D+01 -0.211831D+01  0.358038D+00  0.508502D+01
      2   0.922030D+00 -0.472439D+01  0.207266D+01 -0.422267D+00  0.286199D+01
      3   0.819839D+00  0.629525D+01  0.456486D-01  0.642288D-01 -0.794701D+01
      4   0.612937D+01 -0.483562D+00  0.595022D+01 -0.504003D+01  0.678780D+00
      5  -0.295739D+01  0.100958D+02 -0.468351D+01  0.315361D+01 -0.624639D+01
      6   0.203906D+01 -0.809701D+00  0.116039D+01 -0.297032D+01  0.182392D+01
               151           152           153           154           155 
      1  -0.405805D+01  0.463994D+01 -0.128906D+02  0.265744D+00  0.720368D+00
      2  -0.624880D+01  0.137485D+01 -0.945069D+01 -0.557123D+01 -0.144299D+01
      3   0.103068D+02 -0.601479D+01  0.223413D+02  0.530549D+01  0.722621D+00
      4   0.377157D+00  0.177578D+01 -0.172491D+01  0.127826D+01  0.264044D+01
      5   0.125935D+02 -0.392975D+01  0.157763D+02 -0.953567D+01 -0.216591D+01
      6  -0.119902D+01  0.453271D+01 -0.302242D+01  0.820611D+00 -0.153450D+01
               156           157           158           159           160 
      1   0.282482D+01 -0.174499D+01 -0.241082D+01  0.647213D+01  0.355800D+01
      2   0.580484D+01 -0.526872D+00 -0.595775D+00  0.292360D+01  0.738257D+01
      3  -0.862966D+01  0.227186D+01  0.300660D+01 -0.939574D+01 -0.109406D+02
      4  -0.372081D+00  0.156991D+01  0.110102D+01 -0.133834D+01 -0.178217D+01
      5   0.119427D+02 -0.215354D+01 -0.247812D+01  0.346330D+01  0.128264D+02
      6  -0.161656D+01 -0.105851D+01 -0.234582D+01  0.127345D+01  0.404965D-01
               161           162           163           164           165 
      1   0.333568D+01 -0.218850D+02  0.945673D+01 -0.265270D+01 -0.839189D+01
      2   0.223400D+01 -0.160258D+02 -0.754033D+01  0.821303D+00  0.607055D+01
      3  -0.556969D+01  0.379108D+02 -0.191640D+01  0.183140D+01  0.232134D+01
      4  -0.329684D+01  0.182691D+01 -0.632172D+01  0.102307D+02  0.673385D+01
      5   0.385215D+01 -0.206078D+02 -0.152078D+02  0.497236D+01  0.158087D+02
      6   0.499323D+01  0.528019D-01  0.453039D+01 -0.188550D+01 -0.316381D+01
               166           167           168           169           170 
      1   0.375631D+01  0.120091D+01 -0.248389D+01 -0.163756D+02 -0.387608D+01
      2  -0.303842D+01  0.839758D+00  0.122295D+01  0.136203D+02  0.774911D+00
      3  -0.717885D+00 -0.204066D+01  0.126094D+01  0.275526D+01  0.310117D+01
      4   0.120190D+02 -0.987662D+01 -0.895238D+01  0.131942D+02 -0.152453D+02
      5   0.487576D+01 -0.890959D+01 -0.950553D+01  0.276875D+02 -0.189062D+02
      6  -0.327499D+01  0.628290D+01  0.928512D+01 -0.943699D+01  0.119817D+02
               171           172           173           174           175 
      1  -0.285267D+01  0.196329D+02 -0.983303D+01  0.631909D+01 -0.110216D+02
      2  -0.111133D+02 -0.412001D+01 -0.208647D+00 -0.177810D+01 -0.333118D+01
      3   0.139660D+02 -0.155129D+02  0.100417D+02 -0.454099D+01  0.143528D+02
      4  -0.221971D+02 -0.215942D+02  0.247555D+02 -0.587765D+01  0.318878D+02
      5  -0.478864D+02  0.905955D+01 -0.389260D+01  0.781488D+01 -0.515633D+01
      6   0.187131D+02 -0.307668D+01  0.647347D+00 -0.183091D+01  0.232116D+01
               176           177           178           179           180 
      1   0.390221D+01 -0.478182D+00  0.182529D+02 -0.771910D+00  0.258118D+01
      2   0.166224D+02 -0.423207D+01 -0.482450D+01 -0.669793D+01  0.467630D-01
      3  -0.205247D+02  0.471025D+01 -0.134284D+02  0.746984D+01 -0.262795D+01
      4  -0.439692D+02  0.119380D+02 -0.154315D+02  0.233940D+02 -0.140356D+02
      5   0.108579D+02 -0.896118D+01  0.108456D+02 -0.122946D+02  0.815601D+01
      6  -0.468791D+01  0.564471D+01 -0.456146D+01  0.633641D+01 -0.419937D+01
               181           182           183           184           185 
      1   0.140473D+03 -0.169787D+02 -0.159318D+02 -0.260891D+02  0.133663D+02
      2  -0.713281D+02  0.887044D+01  0.782842D+01  0.129330D+02 -0.487465D+01
      3  -0.691448D+02  0.810822D+01  0.810333D+01  0.131561D+02 -0.849167D+01
      4  -0.128109D+02  0.136765D+02  0.153660D+01  0.168954D+02 -0.852494D+01
      5  -0.183248D+02  0.217317D+01  0.164204D+02  0.222466D+01 -0.584165D+01
      6   0.661454D+00 -0.106965D+01  0.139902D+01 -0.124785D+01 -0.107345D+00
               186           187           188           189           190 
      1   0.280947D+01 -0.190017D+02  0.199281D+01  0.156860D+02 -0.478798D+02
      2  -0.200292D+01  0.107008D+02 -0.192673D+01 -0.976333D+01  0.236495D+02
      3  -0.806548D+00  0.830093D+01 -0.660861D-01 -0.592265D+01  0.242303D+02
      4  -0.542723D+01  0.449965D+00 -0.521030D+01 -0.220470D-01 -0.581164D+01
      5  -0.500711D+00  0.223320D+02 -0.305820D+00 -0.424565D+01 -0.115591D+02
      6   0.247504D+01  0.101653D+00  0.267208D+01  0.733302D+00  0.530941D+01
               191           192           193           194           195 
      1   0.876268D+01  0.127532D+02  0.609123D+01 -0.839276D+01 -0.580079D+01
      2  -0.530965D+01 -0.177553D+01 -0.297705D+01  0.511224D+01  0.370440D+01
      3  -0.345303D+01 -0.109777D+02 -0.311417D+01  0.328052D+01  0.209639D+01
      4  -0.356237D+01 -0.157605D+01  0.725884D+00  0.265665D+01  0.492169D+01
      5  -0.176083D+01 -0.756506D+01 -0.310186D+00  0.394136D+01 -0.246580D-01
      6  -0.565492D+01 -0.662387D+01 -0.255262D+01  0.374963D+01  0.474518D+01
               196           197           198           199           200 
      1   0.853077D+01 -0.359585D+01 -0.891660D+01  0.316817D+02  0.197728D+02
      2  -0.164380D+01  0.201043D+01  0.635909D+00 -0.135262D+02 -0.480221D+01
      3  -0.688698D+01  0.158543D+01  0.828069D+01 -0.181555D+02 -0.149706D+02
      4  -0.170375D+00  0.319657D+01 -0.156433D+01  0.322999D+02  0.311162D+02
      5   0.154217D+01 -0.161184D+01  0.298531D+01  0.255441D+02  0.163065D+02
      6  -0.357512D+01  0.382527D+01  0.189642D+01  0.119142D+02  0.114058D+02
               201           202           203           204           205 
      1   0.123222D+02  0.249700D+02  0.147147D+02  0.580890D+01  0.712684D+01
      2  -0.872962D+01 -0.654919D+01  0.311902D+01 -0.301950D+01 -0.595235D+01
      3  -0.359256D+01 -0.184208D+02 -0.178337D+02 -0.278940D+01 -0.117449D+01
      4   0.131257D+02  0.389996D+02  0.474698D+02  0.229331D+02  0.935828D+01
      5   0.210242D+02  0.238794D+02  0.268152D+02  0.210386D+02  0.172188D+02
      6   0.786344D+01  0.148198D+02  0.203861D+02  0.146655D+02  0.687998D+01
               206           207           208           209           210 
      1   0.179323D+01  0.613152D+01  0.100889D+02 -0.601031D+01  0.115188D+02
      2  -0.157999D+01 -0.536065D+01 -0.860605D+01  0.563949D+01 -0.105787D+02
      3  -0.213242D+00 -0.770870D+00 -0.148281D+01  0.370825D+00 -0.940050D+00
      4   0.119218D+02  0.111146D+02 -0.660005D+01  0.124211D+02 -0.557433D+01
      5   0.116241D+02  0.137658D+02  0.162170D+02 -0.785081D+01  0.180608D+02
      6   0.101391D+02  0.720321D+01 -0.135703D+01  0.425577D+01 -0.170433D+01
               211           212           213           214           215 
      1  -0.118829D+02  0.638108D+01 -0.385048D+01  0.106639D+02 -0.156200D+01
      2   0.109125D+02 -0.874075D+01  0.147616D+02 -0.113725D+02  0.990454D+01
      3   0.970328D+00  0.235967D+01 -0.109111D+02  0.708600D+00 -0.834254D+01
      4   0.130941D+02 -0.259550D+02  0.210852D+02 -0.547363D+01  0.161086D+02
      5  -0.160613D+02  0.239894D+02 -0.328784D+02  0.191200D+02 -0.187464D+02
      6   0.495609D+01 -0.118811D+02  0.914227D+01 -0.222584D+01  0.956403D+01
               216           217           218           219           220 
      1   0.218697D+01  0.136831D+01  0.203904D+01 -0.798891D+01 -0.135492D+01
      2  -0.185021D+02 -0.271862D+01  0.449986D+00  0.673146D+01  0.274655D+01
      3   0.163151D+02  0.135031D+01 -0.248902D+01  0.125745D+01 -0.139163D+01
      4  -0.168984D+02  0.293183D+01  0.652780D+01 -0.249126D+01  0.428189D+01
      5   0.351913D+02 -0.102767D+02 -0.106213D+01  0.139686D+02  0.162922D+01
      6  -0.733249D+01 -0.241265D+01 -0.135167D+01  0.199233D+01 -0.732252D+00
               221           222           223           224           225 
      1   0.586290D+00 -0.628348D-01 -0.905015D+01  0.190640D+01 -0.112487D+02
      2  -0.143392D+01 -0.508603D+01  0.900339D+01 -0.428392D+01 -0.252972D+02
      3   0.847632D+00  0.514887D+01  0.467633D-01  0.237752D+01  0.365459D+02
      4  -0.269562D+00 -0.439188D+01 -0.514549D+01 -0.891118D+01  0.321508D+01
      5  -0.529299D+01 -0.114048D+02  0.175128D+02  0.233499D+01 -0.669117D+02
      6   0.363553D+00  0.269540D+01  0.440091D+01  0.738012D+01 -0.230666D+02
               226           227           228           229           230 
      1   0.247606D+02  0.184525D+02  0.164103D+01  0.187509D+02  0.100168D+02
      2  -0.106274D+00  0.589108D+01  0.277978D+00  0.732073D+01  0.265926D+02
      3  -0.246543D+02 -0.243436D+02 -0.191900D+01 -0.260716D+02 -0.366093D+02
      4   0.377899D+02  0.423574D+02 -0.157210D+01  0.454387D+02  0.660803D+02
      5  -0.377312D+01 -0.525175D+01  0.944367D+01 -0.589058D+01 -0.500950D+01
      6  -0.317339D+01 -0.482347D+01  0.534391D+01 -0.497249D+01 -0.849400D+01
               231           232           233           234           235 
      1  -0.393850D+00  0.662199D+01  0.187834D+01  0.324626D+01 -0.390474D+02
      2   0.975187D+00  0.338854D+00  0.485679D+01 -0.140636D+01  0.273505D+02
      3  -0.581337D+00 -0.696084D+01 -0.673512D+01 -0.183989D+01  0.116969D+02
      4  -0.175254D+01  0.803888D+01  0.129279D+02  0.670875D+01 -0.926656D+01
      5   0.714836D+01  0.694060D+01  0.527133D+01 -0.141004D+01  0.103327D+02
      6   0.648315D+01  0.392069D+01  0.441437D+01  0.381295D+00 -0.605549D+00
               236           237           238           239           240 
      1   0.159622D+02  0.690578D+00  0.165799D+02 -0.603793D+01 -0.717085D+00
      2  -0.145420D+02 -0.154370D+01 -0.966397D+01  0.107537D+02  0.552239D+00
      3  -0.142013D+01  0.853123D+00 -0.691596D+01 -0.471580D+01  0.164846D+00
      4  -0.191081D+01  0.265688D+01  0.102319D+02  0.874648D+01 -0.483567D+00
      5  -0.285491D+00 -0.577499D+01 -0.441371D+01  0.683079D+00  0.101144D+00
      6   0.300198D+01 -0.474787D+01 -0.487396D-01 -0.224624D+01  0.129108D+01
               241           242           243           244           245 
      1   0.474740D+01 -0.323890D+01 -0.511875D+01  0.243751D+01  0.379743D+01
      2  -0.309431D+01  0.383821D+01  0.161588D-02 -0.386181D+01 -0.201629D+01
      3  -0.165309D+01 -0.599315D+00  0.511714D+01  0.142430D+01 -0.178114D+01
      4   0.564375D+00  0.319917D+01 -0.129924D+01  0.615750D+01  0.666908D+01
      5  -0.884380D+00 -0.172319D-01 -0.322497D+01 -0.102228D+02 -0.243153D+01
      6  -0.222987D+01  0.128103D+01 -0.611100D+00 -0.413860D+01 -0.512158D+00
               246           247           248           249           250 
      1  -0.577763D+01  0.455446D+01 -0.240689D+00  0.198409D+01 -0.800911D+01
      2   0.437871D+01 -0.218144D+01  0.119986D+01 -0.138057D+01  0.745607D+01
      3   0.139892D+01 -0.237303D+01 -0.959169D+00 -0.603528D+00  0.553040D+00
      4  -0.329506D+01  0.999236D+01  0.615951D+01 -0.703389D+01 -0.581565D+01
      5   0.116141D+02 -0.338828D+01 -0.722906D+01  0.104145D+02  0.158683D+02
      6   0.240876D+01 -0.197527D+01 -0.575403D+01  0.780651D+01  0.409608D+01
               251           252           253           254           255 
      1   0.213258D+01 -0.441080D+01 -0.798922D+02 -0.387903D+01  0.829406D+01
      2   0.767116D+00 -0.955750D+01  0.405929D+02  0.931056D+01 -0.576307D+01
      3  -0.289969D+01  0.139683D+02  0.392994D+02 -0.543153D+01 -0.253098D+01
      4  -0.103867D+02  0.104692D+02 -0.780531D+01  0.247828D+02  0.109079D+02
      5   0.921060D+01 -0.341849D+02  0.125216D+02  0.807788D+01  0.145058D+02
      6   0.741229D+01 -0.123542D+02  0.908070D+01  0.593405D+01  0.518152D+01
               256           257           258           259           260 
      1   0.157741D+02  0.339783D+02  0.298084D+01  0.289114D+02  0.336630D+01
      2  -0.467362D+01 -0.378072D+02 -0.679636D+01 -0.126321D+02 -0.289934D+01
      3  -0.111005D+02  0.382890D+01  0.381553D+01 -0.162793D+02 -0.466959D+00
      4   0.272229D+02 -0.274339D+02  0.557296D+01  0.204838D+02  0.146675D+02
      5   0.121486D+02  0.817262D+01  0.176959D+02  0.205150D+02  0.194146D+02
      6   0.641239D+01 -0.391789D+01  0.601613D+01  0.866995D+01  0.817701D+01
               261           262           263           264           265 
      1   0.152393D+02  0.671509D+01 -0.828034D+01  0.251655D+01 -0.690810D+01
      2   0.556633D+01  0.182086D+01 -0.957212D+00 -0.145367D+00 -0.844529D+01
      3  -0.208056D+02 -0.853595D+01  0.923755D+01 -0.237119D+01  0.153534D+02
      4   0.227117D+02 -0.140061D+02  0.175050D+02 -0.387329D+01  0.287278D+02
      5  -0.181660D+02  0.498832D+01 -0.417135D+01  0.358640D+01 -0.764300D+01
      6  -0.278938D+01 -0.324098D+01  0.296254D+01 -0.143591D+01  0.597781D+01
               266           267           268           269           270 
      1  -0.534773D+01  0.680150D+00  0.534374D+00  0.971771D+00 -0.741630D+00
      2   0.344665D+02 -0.579580D+01 -0.203659D+01  0.354013D+01  0.146492D+01
      3  -0.291188D+02  0.511565D+01  0.150221D+01 -0.451190D+01 -0.723285D+00
      4  -0.615993D+02  0.128607D+02  0.167156D+01 -0.362955D+01 -0.423896D+01
      5   0.139210D+02 -0.108574D+02  0.305202D+01 -0.431711D+01  0.438537D+01
      6  -0.145316D+02  0.803253D+01 -0.186270D+01  0.470326D+01 -0.299894D+01
               271           272           273           274           275 
      1   0.511981D+01 -0.557976D+00  0.497812D+01 -0.720382D+01 -0.564952D+01
      2  -0.523025D+01 -0.703749D+00 -0.177864D+01  0.372665D+01  0.296166D+01
      3   0.110442D+00  0.126172D+01 -0.319948D+01  0.347718D+01  0.268785D+01
      4  -0.174479D+01 -0.328062D+01 -0.443517D+00 -0.309080D+01 -0.182120D+01
      5   0.246168D+01 -0.172148D+01 -0.274711D+00 -0.441415D+01  0.329173D+01
      6  -0.657567D+00 -0.154719D+01 -0.117785D+01 -0.862885D+00 -0.249155D+00
               276           277           278           279           280 
      1  -0.268563D+00  0.110188D+02 -0.782098D-01 -0.113139D+02  0.127691D+03
      2   0.472920D+01 -0.722341D+01  0.433875D+01 -0.155386D+02 -0.609323D+02
      3  -0.446064D+01 -0.379539D+01 -0.426054D+01  0.268525D+02 -0.667585D+02
      4   0.358523D+01  0.483411D+01  0.916044D+01 -0.343419D+01  0.395205D+02
      5  -0.940745D+01  0.103098D+02 -0.253516D+01  0.428185D+02  0.976120D+01
      6   0.938053D+00  0.155610D+01  0.371198D+01  0.122304D+02 -0.654943D+00
               281           282           283           284           285 
      1   0.884345D+01 -0.141839D+01 -0.714660D+01  0.655791D+01 -0.266047D+00
      2  -0.869368D+00 -0.234250D+00  0.600103D+01 -0.173822D+00  0.579083D+00
      3  -0.797409D+01  0.165264D+01  0.114558D+01 -0.638409D+01 -0.313036D+00
      4   0.175379D+02  0.832735D+00  0.116392D+02  0.537523D+01 -0.105250D+01
      5   0.141377D+01  0.132359D+02 -0.134502D+01 -0.752925D+00 -0.227452D+01
      6   0.176749D+01  0.361335D+01  0.499393D+00  0.461800D+00  0.187854D+00
               286           287           288           289           290 
      1  -0.168553D+02 -0.157244D+01  0.851249D+01  0.185220D+01  0.122260D+02
      2   0.704168D+01 -0.104695D+00 -0.637414D+01  0.188993D+01 -0.123062D+02
      3   0.981358D+01  0.167714D+01 -0.213834D+01 -0.374213D+01  0.802301D-01
      4  -0.679490D+01 -0.443544D+01  0.109823D+01  0.386773D+01 -0.576864D+01
      5   0.117421D+02 -0.623688D+00 -0.685624D+00 -0.167827D+01 -0.491884D+00
      6   0.299755D+01  0.633212D+00 -0.506464D+00 -0.172219D+00 -0.246174D+01
               291           292           293           294           295 
      1   0.122551D+00  0.112804D+02 -0.301452D+02 -0.271501D+01 -0.398264D+01
      2  -0.134622D+00 -0.351591D+01  0.520722D+02  0.283188D+01  0.102826D+01
      3   0.120717D-01 -0.776445D+01 -0.219270D+02 -0.116875D+00  0.295438D+01
      4  -0.197422D+01  0.121979D+02  0.591411D+02  0.600709D+01 -0.309323D+01
      5  -0.247028D+01  0.306743D+01  0.356160D+01  0.723785D+01  0.794682D-01
      6  -0.220806D+01  0.692152D+00  0.114036D+02  0.765641D+01 -0.223283D+00
               296           297 
      1  -0.776875D+00 -0.525463D+01
      2  -0.164424D+01  0.369822D+01
      3   0.242112D+01  0.155640D+01
      4  -0.401603D+01  0.348308D+01
      5   0.430263D+01  0.221025D+01
      6   0.642494D+01  0.119706D+01
 Leave Link  716 at Wed Sep  8 17:08:23 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.210560D+03 -0.130396D+01 -0.682680D+00
      2  -0.130396D+01  0.138074D+03 -0.667911D+01
      3  -0.682680D+00 -0.667911D+01  0.156771D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.362201D+01 -0.766044D+01  0.222893D+02
      2   0.105582D+02 -0.899037D+01  0.467071D+02
      3  -0.120239D+03 -0.369409D+02  0.124298D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.166728D+03  0.554499D+02 -0.352681D+01
      2  -0.906749D+02 -0.325405D+02  0.164878D+02
      3  -0.760528D+02 -0.229094D+02 -0.129610D+02
      4  -0.264229D+02  0.706995D+02 -0.262960D+02
      5  -0.673542D+01 -0.288099D+02  0.997611D+02
      6  -0.115058D+02  0.126119D+02 -0.278952D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.901103D+01  0.667586D+00  0.108718D+01 -0.179287D+01  0.157212D+01
      2   0.667586D+00  0.213838D+01 -0.849366D+00  0.157212D+01 -0.349609D+01
      3   0.108718D+01 -0.849366D+00  0.317768D+01  0.175976D+01  0.228551D+01
                 6             7             8             9            10 
      1   0.175976D+01  0.128640D+02  0.138321D+01 -0.801425D+00  0.295247D+02
      2   0.228551D+01  0.138321D+01  0.430820D-01  0.139911D+01  0.155413D+01
      3   0.995982D+00 -0.801425D+00  0.139911D+01  0.100675D+01 -0.117901D+01
                11            12            13            14            15 
      1   0.155413D+01 -0.117901D+01 -0.125028D+01  0.389621D+01  0.146066D+01
      2   0.182047D+01 -0.642120D+00  0.389621D+01 -0.148190D+01 -0.199595D-01
      3  -0.642120D+00  0.301702D+01  0.146066D+01 -0.199595D-01 -0.862169D+00
                16            17            18            19            20 
      1  -0.222999D+01  0.134418D+01  0.117663D+01  0.123826D+02 -0.697063D+00
      2   0.134418D+01  0.391627D+00 -0.102452D+01 -0.697063D+00 -0.265562D+01
      3   0.117663D+01 -0.102452D+01 -0.460149D+00 -0.124021D+01  0.157862D+01
                21            22            23            24            25 
      1  -0.124021D+01 -0.415222D+01 -0.149291D+01 -0.912639D-01  0.110416D+02
      2   0.157862D+01 -0.149291D+01 -0.277245D+01  0.252500D+01 -0.169989D+01
      3  -0.197967D+01 -0.912639D-01  0.252500D+01  0.177650D+01  0.125100D+00
                26            27            28            29            30 
      1  -0.169989D+01  0.125100D+00 -0.275026D+02  0.467336D+00  0.892118D+00
      2   0.134322D+01  0.129311D+01  0.467336D+00 -0.173032D+01  0.280801D+00
      3   0.129311D+01  0.188804D+01  0.892118D+00  0.280801D+00 -0.283973D+01
                31            32            33            34            35 
      1   0.263295D+01 -0.481585D+01 -0.163304D+01  0.314982D+01 -0.145383D+01
      2  -0.481585D+01  0.688275D+00  0.456848D+00 -0.145383D+01  0.797861D-01
      3  -0.163304D+01  0.456848D+00  0.140167D+00 -0.515558D+00 -0.926158D+00
                36            37            38            39            40 
      1  -0.515558D+00  0.953515D+01 -0.913314D+00 -0.819928D+00  0.343233D+01
      2  -0.926158D+00 -0.913314D+00 -0.862547D+00 -0.492405D+00 -0.149333D+01
      3   0.347863D+00 -0.819928D+00 -0.492405D+00 -0.338158D+01 -0.103020D+01
                41            42            43            44            45 
      1  -0.149333D+01 -0.103020D+01 -0.133648D+02  0.397942D+00  0.537097D+00
      2   0.223179D+01 -0.228409D+01  0.397942D+00 -0.115447D+01 -0.834881D+00
      3  -0.228409D+01 -0.125495D+01  0.537097D+00 -0.834881D+00 -0.143779D+01
                46            47            48            49            50 
      1  -0.118775D+02  0.324134D+00  0.843973D+00  0.519302D+01  0.189676D+01
      2   0.324134D+00  0.932207D+00  0.490661D-01  0.189676D+01  0.167939D+01
      3   0.843973D+00  0.490661D-01  0.182210D+01 -0.432363D+00 -0.292343D+01
                51            52            53            54            55 
      1  -0.432363D+00 -0.101094D+02  0.286422D+00 -0.291516D+00 -0.134464D+02
      2  -0.292343D+01  0.286422D+00 -0.152176D+01 -0.939925D+00 -0.293579D+01
      3  -0.207066D+01 -0.291516D+00 -0.939925D+00 -0.185827D+01 -0.486020D+00
                56            57            58            59            60 
      1  -0.293579D+01 -0.486020D+00 -0.681143D+01 -0.703089D+01 -0.327903D+00
      2  -0.378947D+01  0.431207D-01 -0.703089D+01  0.254423D-01 -0.199541D+01
      3   0.431207D-01 -0.159497D+01 -0.327903D+00 -0.199541D+01  0.188276D+01
                61            62            63            64            65 
      1  -0.174119D+01 -0.566343D+00 -0.320871D+01 -0.416622D+01  0.442792D+01
      2  -0.566343D+00 -0.265359D+01  0.298793D+01  0.442792D+01  0.322579D+01
      3  -0.320871D+01  0.298793D+01  0.443922D+01  0.227119D+01 -0.300386D+00
                66            67            68            69            70 
      1   0.227119D+01  0.126031D+02  0.514854D+01 -0.452793D-01  0.510235D+01
      2  -0.300386D+00  0.514854D+01  0.169751D+01  0.328187D+01  0.732096D+00
      3   0.979863D+00 -0.452793D-01  0.328187D+01 -0.297406D+01  0.249642D+00
                71            72            73            74            75 
      1   0.732096D+00  0.249642D+00  0.329910D+01 -0.325686D+01 -0.231471D+01
      2   0.340916D+01 -0.265207D+01 -0.325686D+01 -0.331981D+01 -0.575300D-01
      3  -0.265207D+01 -0.429669D+01 -0.231471D+01 -0.575300D-01 -0.147674D+01
                76            77            78            79            80 
      1  -0.459638D+01 -0.432531D+01  0.161571D-01 -0.260865D+01  0.254071D+00
      2  -0.432531D+01 -0.121491D+01 -0.418673D+01  0.254071D+00 -0.301937D+01
      3   0.161571D-01 -0.418673D+01  0.306614D+01 -0.409268D+00  0.261269D+01
                81            82            83            84            85 
      1  -0.409268D+00  0.323029D+01 -0.390561D+01 -0.130236D+01 -0.597914D+01
      2   0.261269D+01 -0.390561D+01 -0.380379D+01  0.357319D+00 -0.419390D+01
      3   0.262184D+01 -0.130236D+01  0.357319D+00 -0.103364D+01 -0.799433D-01
                86            87            88            89            90 
      1  -0.419390D+01 -0.799433D-01 -0.199644D+01 -0.885806D+00 -0.775985D+00
      2  -0.270845D+01 -0.239667D+01 -0.885806D+00 -0.321194D+01  0.211980D+01
      3  -0.239667D+01  0.315697D+01 -0.775985D+00  0.211980D+01  0.586087D+01
                91            92            93            94            95 
      1   0.510762D+01  0.193390D+01  0.194906D+01 -0.257543D+01  0.549403D+01
      2   0.193390D+01  0.174997D+01  0.409294D+00  0.549403D+01 -0.371315D+01
      3   0.194906D+01  0.409294D+00  0.155707D+01  0.145970D+01  0.573545D+00
                96            97            98            99           100 
      1   0.145970D+01  0.327848D+01  0.201214D+01  0.241510D+01  0.575648D+00
      2   0.573545D+00  0.201214D+01  0.626595D+00  0.263210D+01 -0.116387D+01
      3   0.221577D+01  0.241510D+01  0.263210D+01 -0.307554D+01 -0.150610D+01
               101           102           103           104           105 
      1  -0.116387D+01 -0.150610D+01 -0.213452D+00 -0.641527D+00  0.126055D+01
      2  -0.808371D-02  0.755102D+00 -0.641527D+00  0.278982D+01 -0.175785D+01
      3   0.755102D+00  0.484970D+00  0.126055D+01 -0.175785D+01 -0.292440D+01
               106           107           108           109           110 
      1  -0.368894D+01  0.166520D+01  0.128706D+01 -0.231492D+01  0.182263D+01
      2   0.166520D+01 -0.369666D+01 -0.346463D+01  0.182263D+01 -0.831010D+00
      3   0.128706D+01 -0.346463D+01 -0.211917D+01  0.319338D+01 -0.762481D+00
               111           112           113           114           115 
      1   0.319338D+01  0.289781D+01 -0.274638D+01 -0.170832D+01  0.600521D+01
      2  -0.762481D+00 -0.274638D+01  0.482262D+01  0.388632D+01 -0.284382D+01
      3  -0.132311D+01 -0.170832D+01  0.388632D+01  0.343165D+01 -0.315367D+01
               116           117           118           119           120 
      1  -0.284382D+01 -0.315367D+01  0.624052D+00 -0.608675D+00 -0.144439D+01
      2   0.491888D+01  0.416267D+01 -0.608675D+00  0.186735D+01 -0.116906D+00
      3   0.416267D+01  0.879330D+01 -0.144439D+01 -0.116906D+00 -0.140882D+00
               121           122           123           124           125 
      1  -0.173024D+01  0.316592D+01 -0.380930D+00 -0.373745D+01  0.986274D+00
      2   0.316592D+01 -0.691567D+01 -0.178161D+00  0.986274D+00 -0.152677D+01
      3  -0.380930D+00 -0.178161D+00 -0.162630D+00 -0.992217D+00  0.143618D+01
               126           127           128           129           130 
      1  -0.992217D+00  0.337620D+01 -0.100908D+01  0.242536D+01 -0.179969D+01
      2   0.143618D+01 -0.100908D+01  0.907940D+00 -0.101657D+01  0.659157D+00
      3  -0.405377D+01  0.242536D+01 -0.101657D+01  0.214716D+01 -0.132356D+01
               131           132           133           134           135 
      1   0.659157D+00 -0.132356D+01  0.250127D+01 -0.118726D+01  0.279158D+01
      2  -0.804372D+00  0.877562D+00 -0.118726D+01  0.163259D+01 -0.203935D+01
      3   0.877562D+00 -0.201721D+01  0.279158D+01 -0.203935D+01  0.484141D+01
               136           137           138           139           140 
      1  -0.202793D+01 -0.627563D+00  0.201643D+01 -0.363130D+00 -0.162263D+00
      2  -0.627563D+00 -0.343810D+00  0.633208D+00 -0.162263D+00 -0.481678D+00
      3   0.201643D+01  0.633208D+00 -0.219859D+01  0.632681D+00  0.707209D+00
               141           142           143           144           145 
      1   0.632681D+00  0.203845D+01  0.955222D+00 -0.260109D+01 -0.488336D+01
      2   0.707209D+00  0.955222D+00  0.155437D+01 -0.228379D+01  0.173690D+01
      3  -0.212007D+01 -0.260109D+01 -0.228379D+01  0.707021D+01 -0.192182D+01
               146           147           148           149           150 
      1   0.173690D+01 -0.192182D+01  0.263172D+01 -0.126376D+01  0.106017D+01
      2  -0.117524D+01  0.537626D+00 -0.126376D+01  0.101097D+01 -0.511594D+00
      3   0.537626D+00 -0.182309D+01  0.106017D+01 -0.511594D+00  0.180761D+01
               151           152           153           154           155 
      1  -0.213641D+01  0.578110D+00 -0.263919D+01  0.202540D+01  0.625296D+00
      2   0.578110D+00 -0.923051D+00  0.141346D+01  0.625296D+00  0.280518D+00
      3  -0.263919D+01  0.141346D+01 -0.466674D+01 -0.191426D+01 -0.304887D+00
               156           157           158           159           160 
      1  -0.191426D+01  0.256186D+00  0.184868D+00 -0.518257D+00 -0.227235D+01
      2  -0.304887D+00  0.184868D+00  0.308486D+00 -0.455694D+00 -0.806509D+00
      3   0.203605D+01 -0.518257D+00 -0.455694D+00  0.181846D+01  0.271097D+01
               161           162           163           164           165 
      1  -0.806509D+00  0.271097D+01  0.168299D+01 -0.454800D+00 -0.164175D+01
      2  -0.106652D+01  0.141403D+01 -0.454800D+00  0.935435D+00  0.482080D+00
      3   0.141403D+01 -0.703197D+01 -0.164175D+01  0.482080D+00  0.137714D+01
               166           167           168           169           170 
      1   0.935807D+00  0.151811D+01  0.482573D+00 -0.464581D+01  0.752589D+00
      2   0.151811D+01 -0.118722D+01 -0.123008D+01  0.752589D+00 -0.191473D+01
      3   0.482573D+00 -0.123008D+01 -0.134550D+01  0.295825D+01 -0.254447D+01
               171           172           173           174           175 
      1   0.295825D+01  0.327557D+01 -0.180115D+01  0.109129D+01 -0.256455D+01
      2  -0.254447D+01 -0.180115D+01  0.232027D+01 -0.421990D+00  0.312001D+01
      3  -0.637896D+01  0.109129D+01 -0.421990D+00  0.714525D+00 -0.592778D+00
               176           177           178           179           180 
      1   0.312001D+01 -0.592778D+00  0.447454D+01 -0.979874D+00  0.127114D+01
      2  -0.525386D+01  0.146363D+01 -0.979874D+00  0.279548D+01 -0.162334D+01
      3   0.146363D+01 -0.116118D+01  0.127114D+01 -0.162334D+01  0.102121D+01
               181           182           183           184           185 
      1   0.130826D+02 -0.143630D+01 -0.150803D+01 -0.316855D+01  0.111661D+01
      2  -0.143630D+01  0.116783D+01  0.193263D+00  0.111661D+01 -0.100872D+01
      3  -0.150803D+01  0.193263D+00  0.138662D+01  0.129735D+00 -0.647498D+00
               186           187           188           189           190 
      1   0.129735D+00 -0.216721D+01 -0.667124D-02  0.185755D+01 -0.720727D+01
      2  -0.647498D+00 -0.667124D-02 -0.733340D+00  0.130540D+00  0.139700D+00
      3  -0.563804D-01  0.185755D+01  0.130540D+00 -0.245405D+00  0.592800D+00
               191           192           193           194           195 
      1   0.139700D+00  0.592800D+00 -0.708286D-01 -0.887050D+00 -0.657592D+00
      2  -0.141015D+01 -0.831876D+00 -0.887050D+00  0.773921D+00  0.752971D+00
      3  -0.831876D+00 -0.194508D+01 -0.657592D+00  0.752971D+00  0.390508D+00
               196           197           198           199           200 
      1   0.458530D+00 -0.486014D+00 -0.838502D+00  0.402928D+01  0.303316D+01
      2  -0.486014D+00  0.530262D+00  0.572235D-01  0.303316D+01  0.294740D+01
      3  -0.838502D+00  0.572235D-01  0.974027D+00  0.208928D+01  0.126660D+01
               201           202           203           204           205 
      1   0.208928D+01  0.385897D+01  0.379379D+01  0.187207D+01  0.118334D+01
      2   0.126660D+01  0.379379D+01  0.516654D+01  0.258897D+01  0.856304D+00
      3   0.182268D+01  0.187207D+01  0.258897D+01  0.207605D+01  0.145428D+01
               206           207           208           209           210 
      1   0.856304D+00  0.145428D+01  0.116532D+01 -0.642011D+00  0.149953D+01
      2   0.132375D+01  0.114241D+01 -0.642011D+00  0.127580D+01 -0.657603D+00
      3   0.114241D+01  0.126765D+01  0.149953D+01 -0.657603D+00  0.155870D+01
               211           212           213           214           215 
      1  -0.150339D+01  0.127210D+01 -0.132836D+01  0.157759D+01 -0.652566D+00
      2   0.127210D+01 -0.320802D+01  0.254514D+01 -0.652566D+00  0.207168D+01
      3  -0.132836D+01  0.254514D+01 -0.366883D+01  0.153811D+01 -0.207759D+01
               216           217           218           219           220 
      1   0.153811D+01  0.394635D+00  0.407879D+00 -0.110971D+01 -0.377915D-02
      2  -0.207759D+01  0.407879D+00  0.600180D+00 -0.103414D+00  0.376768D+00
      3   0.395741D+01 -0.110971D+01 -0.103414D+00  0.111256D+01  0.946219D-01
               221           222           223           224           225 
      1   0.376768D+00  0.946219D-01 -0.152112D+01 -0.295393D+00  0.137369D+01
      2  -0.989076D-01 -0.645324D+00 -0.295393D+00 -0.131235D+01  0.280517D+00
      3  -0.645324D+00 -0.134943D+01  0.137369D+01  0.280517D+00 -0.874232D+01
               226           227           228           229           230 
      1   0.338946D+01  0.346847D+01 -0.518738D-01  0.354954D+01  0.431013D+01
      2   0.346847D+01  0.401836D+01 -0.237127D+00  0.431013D+01  0.735488D+01
      3  -0.518738D-01 -0.237127D+00  0.950916D+00 -0.206962D+00 -0.142809D+00
               231           232           233           234           235 
      1  -0.206962D+00  0.993656D+00  0.753546D+00  0.773718D+00 -0.556750D+01
      2  -0.142809D+00  0.753546D+00  0.152866D+01  0.631328D+00  0.128014D+01
      3   0.747431D+00  0.773718D+00  0.631328D+00 -0.170730D+00  0.428117D+00
               236           237           238           239           240 
      1   0.128014D+01  0.428117D+00  0.289623D+01  0.135424D+00 -0.130404D+00
      2  -0.180590D+01  0.264974D+00  0.135424D+00  0.210999D+01 -0.208958D-01
      3   0.264974D+00 -0.104494D+01 -0.130404D+00 -0.208958D-01  0.218024D+00
               241           242           243           244           245 
      1   0.602374D+00 -0.197536D+00 -0.414103D+00  0.433727D-01 -0.852963D+00
      2  -0.197536D+00  0.610977D+00  0.116464D+00 -0.852963D+00 -0.627807D+00
      3  -0.414103D+00  0.116464D+00 -0.369669D+00  0.116733D+01  0.208676D+00
               246           247           248           249           250 
      1   0.116733D+01 -0.126448D+01 -0.110766D+01  0.357798D+00  0.261378D+01
      2   0.208676D+00 -0.110766D+01 -0.861291D+00  0.112305D+01  0.378374D+00
      3  -0.109846D+01  0.357798D+00  0.112305D+01 -0.149631D+01 -0.181058D+01
               251           252           253           254           255 
      1   0.378374D+00 -0.181058D+01  0.742539D+01 -0.127179D+01 -0.219070D+01
      2   0.150450D+01 -0.133224D+01 -0.127179D+01 -0.314641D+01 -0.107430D+01
      3  -0.133224D+01  0.513729D+01 -0.219070D+01 -0.107430D+01 -0.161356D+01
               256           257           258           259           260 
      1  -0.419475D+01 -0.271687D+01 -0.132506D+01 -0.660641D+01 -0.152068D+01
      2  -0.271687D+01  0.510007D+01 -0.428219D+00 -0.152068D+01 -0.183371D+01
      3  -0.132506D+01 -0.428219D+00 -0.240849D+01 -0.210082D+01 -0.244791D+01
               261           262           263           264           265 
      1  -0.210082D+01 -0.112611D+01  0.143315D+01 -0.596525D+00  0.244817D+01
      2  -0.244791D+01  0.143315D+01 -0.161750D+01  0.424423D+00 -0.343629D+01
      3   0.267060D+01 -0.596525D+00  0.424423D+00 -0.439256D+00  0.856180D+00
               266           267           268           269           270 
      1  -0.343629D+01  0.856180D+00 -0.988878D-01 -0.214663D+00 -0.325182D+00
      2   0.896510D+01 -0.184980D+01 -0.214663D+00  0.410584D+00  0.628443D+00
      3  -0.184980D+01  0.161557D+01 -0.325182D+00  0.628443D+00 -0.688426D+00
               271           272           273           274           275 
      1  -0.143147D+00  0.443213D+00 -0.389199D+00  0.142274D+01  0.288262D+00
      2   0.443213D+00  0.483651D+00  0.213531D+00  0.288262D+00  0.141515D+00
      3  -0.389199D+00  0.213531D+00  0.418792D+00  0.374861D+00 -0.583653D+00
               276           277           278           279           280 
      1   0.374861D+00 -0.197126D+01 -0.217309D+00 -0.716122D+00 -0.148087D+02
      2  -0.583653D+00 -0.217309D+00 -0.125524D+01  0.332639D+00 -0.147321D+01
      3   0.125851D+01 -0.716122D+00  0.332639D+00 -0.601867D+01 -0.162166D+00
               281           282           283           284           285 
      1  -0.147321D+01 -0.162166D+00  0.979711D+00 -0.105166D+01  0.141467D+00
      2  -0.129755D+01 -0.153793D+00 -0.105166D+01 -0.500980D+00  0.101847D+00
      3  -0.153793D+00 -0.104791D+01  0.141467D+00  0.101847D+00  0.349839D+00
               286           287           288           289           290 
      1   0.211901D+01  0.401410D+00 -0.101587D+01 -0.865205D-01 -0.715505D+00
      2   0.401410D+00  0.515996D+00  0.109962D+00 -0.715505D+00  0.175347D+01
      3  -0.101587D+01  0.109962D+00  0.857695D-01  0.231730D+00  0.325056D+00
               291           292           293           294           295 
      1   0.231730D+00 -0.170370D+01 -0.583153D+00 -0.146767D+00  0.892269D+00
      2   0.325056D+00 -0.583153D+00 -0.915865D+01 -0.911594D+00  0.277069D+00
      3   0.417356D+00 -0.146767D+00 -0.911594D+00 -0.107566D+01  0.898923D-01
               296           297 
      1   0.277069D+00  0.898923D-01
      2   0.532305D+00 -0.709736D+00
      3  -0.709736D+00 -0.369178D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.193295D+01  0.121183D+01  0.368071D+01  0.923755D+01  0.174470D+01
      2  -0.116758D+01 -0.201803D+01  0.338730D+01 -0.398869D+01 -0.169975D+01
      3   0.155798D+02 -0.151018D+01 -0.140705D+01  0.131456D+02  0.187452D+01
                 6             7             8             9            10 
      1  -0.234636D+01  0.253526D+01  0.378605D+01  0.205517D+00 -0.229507D+01
      2   0.796052D+00 -0.378432D+01  0.766331D+00 -0.410241D+00 -0.711731D+00
      3  -0.512813D+01 -0.140706D+02 -0.227440D+01 -0.101499D+01 -0.380459D+02
                11            12            13            14            15 
      1  -0.455334D+00  0.161290D+01  0.311994D+01  0.468327D+01 -0.916888D+01
      2   0.484113D+00 -0.247129D+01  0.399200D+01 -0.353123D+00  0.341700D-02
      3  -0.173735D+01  0.116256D+01  0.103455D+02 -0.230264D+01 -0.926798D+00
                16            17            18            19            20 
      1  -0.361349D+01 -0.272228D+01 -0.371211D+01 -0.195648D+01 -0.598528D+00
      2  -0.232393D+02 -0.167388D+01 -0.384514D+01 -0.665254D+00 -0.247615D+01
      3  -0.112125D+01 -0.879886D+00 -0.127051D+01 -0.158655D+02 -0.191182D+00
                21            22            23            24            25 
      1  -0.214312D+01 -0.482910D+01  0.152445D+01  0.687380D+00 -0.104959D+01
      2   0.792733D+01 -0.273023D+01  0.161640D+01 -0.203946D+01 -0.667205D+01
      3   0.276101D+01  0.159816D+02 -0.105984D+01  0.253486D+01 -0.114954D+02
                26            27            28            29            30 
      1   0.358977D+01  0.257323D+01  0.965739D-01  0.153758D+01 -0.277156D+01
      2  -0.952083D+00  0.142705D+01  0.357852D+01  0.853689D+00 -0.321425D+01
      3   0.368787D+01  0.186995D+01  0.330938D+02 -0.648234D+00 -0.228447D+01
                31            32            33            34            35 
      1  -0.557613D+00  0.429005D+01 -0.938699D+01 -0.545938D+01 -0.181255D+01
      2   0.392259D+01 -0.140059D+00  0.240722D+01 -0.253602D+02  0.466032D+01
      3   0.779318D+01  0.512167D+01  0.975155D+00 -0.725566D+01 -0.106079D+01
                36            37            38            39            40 
      1  -0.301664D+01  0.559600D+00  0.904977D+00 -0.186921D+01  0.513225D+01
      2   0.134432D+01 -0.480860D+01 -0.200953D+01  0.363008D+01 -0.494436D+01
      3   0.221737D+01 -0.135763D+02 -0.532522D+00  0.322083D+01  0.728995D+01
                41            42            43            44            45 
      1  -0.191242D+01 -0.324151D+01  0.365896D+01  0.221106D+01 -0.189502D+01
      2  -0.171311D+01  0.128082D+01 -0.118873D+01  0.518322D+00 -0.227881D+01
      3   0.135159D+01 -0.258904D+01  0.199310D+02 -0.192831D+01 -0.465436D+01
                46            47            48            49            50 
      1   0.186044D+01 -0.183629D+01  0.136100D+01 -0.737147D+01 -0.218726D+01
      2   0.420251D+01 -0.269827D+01  0.950914D+01 -0.291061D+01  0.202336D+01
      3   0.204721D+02 -0.195069D+01  0.269644D+01  0.703228D+01 -0.144362D+01
                51            52            53            54            55 
      1  -0.230334D+01 -0.100486D+01  0.252203D+01 -0.334888D+00  0.138015D+01
      2  -0.361786D+01 -0.418559D+01 -0.129142D+01  0.284650D+01 -0.645581D+01
      3   0.273678D+01  0.156217D+02  0.706847D+00  0.266981D+01  0.240391D+02
                56            57            58            59            60 
      1   0.153668D+01 -0.229563D+00  0.354670D+01 -0.291475D+01  0.263305D+01
      2  -0.468268D+00 -0.355899D+01 -0.359399D+01 -0.117560D+02  0.849697D+01
      3   0.130804D+02 -0.806345D-01  0.400124D+02  0.104606D+02  0.819378D+01
                61            62            63            64            65 
      1  -0.561027D+00  0.789889D+01  0.398615D+01 -0.163699D+01  0.327779D-02
      2  -0.199741D+02  0.998999D+01  0.149955D+02  0.111728D+02 -0.431648D+00
      3   0.382498D+01  0.108077D+02 -0.579089D+01 -0.281798D+02 -0.170313D+02
                66            67            68            69            70 
      1  -0.892766D+00 -0.274095D+01 -0.217259D+01 -0.229728D+01  0.274180D+01
      2   0.746547D+01  0.397041D+01  0.154098D+02 -0.134797D+02 -0.837709D+00
      3   0.183505D+01 -0.272635D+02 -0.859548D+01 -0.134858D+02 -0.563957D+01
                71            72            73            74            75 
      1   0.534692D+01  0.204206D+01 -0.183885D+01 -0.619159D+01  0.938958D+00
      2  -0.113246D+02 -0.177924D+02 -0.178354D+02  0.527668D+01  0.228245D+01
      3  -0.146780D+02  0.928826D+01  0.173999D+02  0.921434D+01 -0.258170D+01
                76            77            78            79            80 
      1  -0.869561D+01  0.132875D+01 -0.139190D+02  0.871371D+00 -0.692668D+01
      2   0.649728D+01 -0.100746D+02  0.128414D+02  0.255468D+01  0.107069D+02
      3   0.169155D+02  0.210394D+01  0.160082D+02 -0.309500D+01  0.118241D+02
                81            82            83            84            85 
      1   0.321989D+01  0.594124D+01  0.410873D+01  0.172010D+01  0.609755D+01
      2   0.128304D+02  0.548773D+00 -0.373393D+01 -0.302981D+01 -0.729546D+01
      3  -0.107087D+02  0.246645D+02  0.461023D+01 -0.234600D+01  0.824715D+01
                86            87            88            89            90 
      1   0.918463D+01 -0.531952D+01  0.333313D+01  0.228378D+01 -0.156175D+02
      2  -0.142688D+02  0.124530D+02 -0.620100D+01  0.801751D+01  0.197285D+02
      3   0.166276D+01  0.100799D+02  0.884071D+00  0.115868D+02 -0.863197D+01
                91            92            93            94            95 
      1   0.164254D+01 -0.108262D+01  0.152846D+01  0.655645D+00 -0.171950D+01
      2  -0.106454D+02  0.117888D+00 -0.187976D+01 -0.716981D+00 -0.439281D+01
      3  -0.384148D+01  0.302632D+00 -0.722499D+00  0.322871D+02 -0.168673D+02
                96            97            98            99           100 
      1  -0.219749D+01  0.104243D+01  0.517203D+01  0.253678D+00  0.146887D+01
      2  -0.961840D+01 -0.162756D+02 -0.919557D+01  0.106026D+02  0.532448D+01
      3  -0.101192D+01  0.187043D+01 -0.731559D+00  0.639916D+01  0.131844D+02
               101           102           103           104           105 
      1   0.146377D+01 -0.344898D+01  0.778857D+00 -0.151968D+01  0.193597D+01
      2  -0.372161D+01  0.791192D+01 -0.191740D+01  0.544077D+01  0.170254D+02
      3  -0.157139D+02  0.164515D+01 -0.723685D+01  0.116324D+01 -0.415588D+01
               106           107           108           109           110 
      1  -0.350393D+01 -0.125596D+01  0.446457D+01 -0.338475D+01 -0.200147D+01
      2  -0.143898D+01  0.132114D+02  0.856782D+01 -0.828486D+01  0.214748D+01
      3   0.963655D+01 -0.121885D+02 -0.101919D+02 -0.236409D+00 -0.150073D+00
               111           112           113           114           115 
      1   0.194363D+01 -0.190889D+01  0.411742D+01 -0.659672D+01  0.606132D+00
      2   0.398326D+01 -0.146206D+01 -0.105658D+02 -0.139366D+02  0.152079D+01
      3  -0.135558D+00 -0.377596D+01  0.191453D+02  0.121671D+02 -0.107100D+02
               116           117           118           119           120 
      1   0.660165D+01 -0.102893D+02  0.417486D+01 -0.816121D+00  0.324863D+00
      2  -0.122831D+02 -0.301765D+02  0.597513D+01 -0.666605D+00  0.166582D+01
      3   0.175415D+02  0.123925D+02 -0.354256D+01  0.449270D+01 -0.272468D+01
               121           122           123           124           125 
      1  -0.172813D+01  0.467573D+01 -0.135437D+01 -0.124180D+01  0.634867D+01
      2   0.215689D+00  0.337957D+01 -0.734288D+00 -0.147964D+01 -0.396083D+01
      3   0.861734D+01 -0.189466D+02 -0.140632D+01  0.222077D+01 -0.573569D+01
               126           127           128           129           130 
      1   0.777951D+01  0.298445D+01  0.125138D+01  0.275355D+01 -0.185015D+01
      2   0.150499D+02 -0.463109D+01 -0.352841D-01 -0.152583D+00  0.128911D+01
      3   0.519845D+01 -0.534015D+01 -0.100627D+01 -0.252630D+01  0.377953D+01
               131           132           133           134           135 
      1   0.241765D+00 -0.367877D+01  0.297157D+01  0.124827D+01  0.500881D+01
      2   0.171257D+00 -0.113421D+01 -0.264042D+01 -0.520719D+00  0.221879D+01
      3   0.610432D+00  0.841719D+00 -0.315993D+01 -0.148718D+01 -0.182567D+01
               136           137           138           139           140 
      1   0.207947D+01 -0.885219D+00 -0.249546D+01  0.935946D+00  0.156471D+00
      2   0.426138D+01  0.418894D+00 -0.100400D+01  0.521540D+00  0.514809D-02
      3   0.296102D+01 -0.355273D-01 -0.216158D+01  0.167901D+01 -0.201220D+00
               141           142           143           144           145 
      1  -0.358825D+01 -0.195774D+01  0.212242D+01  0.610893D+01 -0.440852D+01
      2   0.660145D+00 -0.454760D+01 -0.454253D+00 -0.549518D+00 -0.108323D+02
      3  -0.668731D+00 -0.262480D+01  0.821154D+00  0.226479D+01  0.133589D+01
               146           147           148           149           150 
      1   0.430380D+01 -0.781828D+00  0.313307D+01 -0.261295D+01 -0.657771D+00
      2   0.330559D+01 -0.119259D+01  0.466542D+01 -0.230452D+01  0.988066D-01
      3  -0.203540D+01  0.747482D+00 -0.315977D-01  0.159043D+01 -0.162337D+00
               151           152           153           154           155 
      1  -0.121165D+01  0.363496D+01 -0.310684D+01 -0.243256D+01 -0.208209D+01
      2  -0.392106D+01 -0.207298D+00  0.339062D+00  0.465549D+01  0.117324D+01
      3   0.448510D+00 -0.219855D+01  0.171518D+01 -0.663405D+00 -0.994910D+00
               156           157           158           159           160 
      1   0.125389D+01 -0.549617D+00 -0.117542D+01 -0.231299D+00  0.328212D+01
      2  -0.103196D+01  0.449578D+00  0.892622D-01  0.441256D+00 -0.493772D+01
      3   0.989950D+00  0.107080D+01 -0.366968D+00  0.299623D+00  0.136389D+01
               161           162           163           164           165 
      1   0.535431D+01 -0.551283D+01 -0.126221D+01 -0.539764D+00  0.138839D+01
      2  -0.527127D+00 -0.208755D+01 -0.578003D+01  0.847125D+00  0.549558D+01
      3   0.223044D+01 -0.188883D+01 -0.109547D+01 -0.400391D+01  0.621380D+00
               166           167           168           169           170 
      1  -0.170278D+00 -0.182525D+00 -0.218440D+01  0.267319D+01  0.965490D+00
      2   0.169479D+01 -0.322668D+01 -0.474528D+01  0.507767D+01 -0.894473D+01
      3  -0.481036D+01  0.218204D+01  0.295979D+01  0.351816D+01  0.589634D+01
               171           172           173           174           175 
      1  -0.686614D+01  0.174974D+01 -0.125598D+01  0.177644D+01 -0.230746D+01
      2  -0.215187D+02  0.644395D+01 -0.248838D+01  0.488982D+01 -0.294753D+01
      3   0.430626D+01  0.221669D+01 -0.712137D+01  0.228394D+00 -0.513506D+01
               176           177           178           179           180 
      1   0.373435D+01 -0.462895D+01  0.181569D+01 -0.204596D+01  0.298539D+01
      2   0.736378D+01 -0.555876D+01  0.428599D+01 -0.668944D+01  0.445978D+01
      3   0.144361D+02 -0.401285D+01 -0.288237D+01 -0.908025D+01  0.380212D+01
               181           182           183           184           185 
      1   0.283271D+00 -0.542880D+00 -0.217462D+00  0.864936D-01  0.447726D+00
      2  -0.336088D+01  0.545541D+00  0.918292D+01 -0.369987D+00 -0.295983D+01
      3   0.553385D+01 -0.868755D+01 -0.820325D+00 -0.181624D+01  0.465475D+01
               186           187           188           189           190 
      1  -0.106471D+01 -0.484181D+00  0.100441D+01 -0.163276D+00 -0.206302D+01
      2   0.118601D+00  0.576504D+01  0.680227D+00 -0.516443D+00  0.202810D+02
      3   0.313280D+01  0.565861D+00  0.387555D+01 -0.880941D+00 -0.917831D+01
               191           192           193           194           195 
      1  -0.278549D+01  0.131619D+01 -0.181001D+01  0.100480D+00 -0.109946D+00
      2  -0.324880D+01 -0.758854D+01 -0.225309D+01  0.498965D+01  0.198844D+01
      3   0.379029D+01  0.399285D+01  0.512430D+01 -0.276285D+01 -0.316220D+01
               196           197           198           199           200 
      1   0.661979D+00  0.189241D+01 -0.446075D+00  0.337646D+01  0.509833D+01
      2  -0.750428D+01  0.976874D+00  0.474429D+01  0.213282D+01  0.334556D+00
      3   0.265128D+01 -0.176884D+01 -0.120272D+01 -0.874451D+01 -0.114196D+02
               201           202           203           204           205 
      1  -0.602385D+00  0.548551D+01  0.753617D+01  0.704554D-01  0.922794D+00
      2   0.608975D+01 -0.109479D+00  0.477705D+01  0.700064D+01  0.228849D+01
      3  -0.356766D+01 -0.999424D+01 -0.192572D+02 -0.915293D+01 -0.161010D+01
               206           207           208           209           210 
      1   0.286136D+01  0.579379D+00 -0.241547D+01  0.322102D+01 -0.199448D+01
      2   0.276869D+01  0.320979D+01  0.524596D+01 -0.142254D+01  0.495540D+01
      3  -0.510798D+01 -0.360830D+01  0.242527D+01 -0.591711D+01  0.321671D+01
               211           212           213           214           215 
      1   0.271831D+01 -0.961054D+01  0.533486D+01 -0.221186D+01  0.794445D+01
      2  -0.114495D+01  0.870110D+01 -0.138043D+02  0.109455D+01 -0.765194D+01
      3  -0.315439D+01  0.139479D+02 -0.990186D+01  0.246781D+01 -0.869266D+01
               216           217           218           219           220 
      1  -0.598150D+01  0.133231D+01 -0.711786D+00 -0.154983D+01 -0.368304D+00
      2   0.136963D+02 -0.428756D+01 -0.184864D+00  0.331745D+01 -0.371495D+00
      3   0.850903D+01 -0.221965D+01 -0.246000D+01 -0.932900D+00 -0.348513D+00
               221           222           223           224           225 
      1   0.186916D+01  0.228257D+01 -0.161360D+01  0.504911D+01  0.158056D+02
      2  -0.188275D+01 -0.533061D+01 -0.530279D+00  0.365983D+00 -0.306931D+02
      3   0.140268D+01  0.191899D+01 -0.127034D+01  0.472855D+01 -0.907825D+00
               226           227           228           229           230 
      1  -0.397149D+01 -0.441075D+01 -0.313574D+01 -0.542554D+01 -0.848144D+01
      2   0.324443D+01  0.242287D+01  0.535203D+01  0.349207D+01  0.380887D+01
      3  -0.696997D+01 -0.112357D+02  0.123078D+01 -0.649074D+01 -0.216977D+02
               231           232           233           234           235 
      1  -0.397846D+01 -0.218255D+01 -0.161780D+01 -0.824568D+00 -0.150122D+01
      2   0.375788D+01  0.327871D+01  0.271620D+01  0.234944D+00 -0.736521D+01
      3   0.388968D+00 -0.824613D+00 -0.516104D+01 -0.120664D+01 -0.216848D+02
               236           237           238           239           240 
      1   0.142625D+01  0.274999D+01 -0.274172D+00 -0.228184D+01 -0.863197D+00
      2   0.256772D+01 -0.135350D+01  0.332257D+01 -0.100257D+00 -0.532893D+00
      3   0.669723D+01 -0.426086D-01  0.589046D+01 -0.688277D+01 -0.427249D+00
               241           242           243           244           245 
      1   0.181064D+01  0.703715D+00  0.149588D+00  0.119488D-01 -0.455782D+00
      2  -0.308133D+01 -0.359364D+00 -0.181456D+01 -0.485453D+01 -0.371279D+00
      3   0.155029D+01 -0.250058D+01 -0.139239D+01 -0.302880D+01 -0.209909D+01
               246           247           248           249           250 
      1  -0.608788D+00 -0.116547D+00  0.233097D+00 -0.157634D+01 -0.625331D+00
      2   0.375602D+01  0.172610D+00 -0.288964D+01  0.502335D+01  0.844589D+00
      3   0.333714D-01 -0.758106D+00 -0.193843D+01  0.293489D+01 -0.107306D+01
               251           252           253           254           255 
      1   0.234527D+01  0.244536D+01 -0.189896D+01  0.724029D+00 -0.232758D+01
      2   0.420978D+01 -0.159002D+02  0.182802D+02  0.448850D+01  0.830783D+01
      3   0.438924D+01 -0.303034D+01 -0.161555D+02 -0.117471D+02 -0.617143D+00
               256           257           258           259           260 
      1  -0.132332D+01 -0.626541D+01 -0.554597D+01 -0.122396D+01 -0.108619D+01
      2   0.401066D+01  0.169006D+00  0.835044D+01  0.568460D+01  0.931372D+01
      3  -0.301153D+01  0.238960D+02  0.912956D+00  0.180608D+01 -0.249373D+01
               261           262           263           264           265 
      1   0.755683D+01  0.794843D-01  0.470143D+00  0.765356D+00  0.951520D+00
      2  -0.149720D+02  0.136385D+01 -0.806264D+00  0.142798D+01 -0.137077D+01
      3  -0.661888D+01  0.307415D+01 -0.372783D+01  0.137133D+01 -0.666306D+01
               266           267           268           269           270 
      1  -0.385497D+01 -0.324168D+01 -0.385688D+00  0.441741D+00 -0.528535D+00
      2   0.473793D+01 -0.550284D+01  0.343167D+00 -0.151687D+01  0.175132D+01
      3   0.278650D+02 -0.564195D+01 -0.600482D+00  0.154555D+01  0.186723D+01
               271           272           273           274           275 
      1  -0.170589D+01 -0.748509D+00  0.446028D+00 -0.814808D-01 -0.207557D+01
      2   0.454809D+01  0.223777D+00 -0.222341D+01  0.140071D+01  0.302855D+01
      3   0.213901D+01  0.885112D+00  0.900039D+00  0.654636D+00  0.432021D+00
               276           277           278           279           280 
      1   0.193480D+01 -0.136058D+00  0.464185D+01 -0.100669D+02  0.791802D+00
      2  -0.528856D+01 -0.272612D+01 -0.236607D+01  0.239959D+02 -0.903924D+01
      3  -0.255315D+01  0.126925D+01 -0.449235D+01  0.279692D+01  0.149582D+02
               281           282           283           284           285 
      1   0.769998D+00 -0.185238D+01  0.845612D+00  0.483989D+00  0.166535D-01
      2  -0.116857D+00  0.793895D+01 -0.590808D+00 -0.103585D+01 -0.127609D+01
      3  -0.654941D+01 -0.721385D+00 -0.412459D+01 -0.491964D+00  0.365418D+00
               286           287           288           289           290 
      1  -0.170761D+01  0.859686D+00 -0.894372D-01  0.102533D+01 -0.631598D+00
      2   0.405213D+01 -0.692802D+00 -0.557879D+00 -0.873877D+00 -0.165061D+01
      3  -0.139420D+01  0.162012D+01  0.196617D+01 -0.405812D+01  0.639021D+01
               291           292           293           294           295 
      1   0.136067D+01 -0.276398D+00  0.595592D+01 -0.380680D+01  0.596191D+00
      2  -0.138358D+01 -0.899142D+00  0.365199D+01  0.385600D+01 -0.155248D+01
      3   0.360381D+00  0.403681D+01 -0.317371D+02 -0.240523D+01 -0.803188D+00
               296           297 
      1  -0.319939D+00 -0.541417D-01
      2   0.236048D+01  0.141159D+01
      3   0.119852D+01 -0.243733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.691995D+01  0.117312D+02 -0.237536D+02 -0.123138D+01 -0.139524D+02
      2   0.206637D+01 -0.966832D+01  0.798538D+01 -0.710358D+01  0.230480D+02
      3   0.485358D+01 -0.206291D+01  0.157682D+02  0.833495D+01 -0.909564D+01
      4   0.113591D+02 -0.295403D+00  0.619463D+01  0.908701D+01 -0.658661D+01
      5  -0.123655D+02  0.544895D+01 -0.666523D+00  0.944643D+01  0.321743D+01
      6   0.440403D+01  0.533864D+01 -0.545103D+01 -0.580093D+00 -0.681824D+01
                 6             7             8             9            10 
      1   0.651731D+01  0.360874D+02 -0.236959D+01  0.102435D+02  0.494270D+02
      2  -0.125397D+02 -0.100990D+02 -0.197276D+01 -0.557911D+01 -0.237838D+02
      3   0.602239D+01 -0.259883D+02  0.434235D+01 -0.466437D+01 -0.256432D+02
      4   0.220335D+01 -0.438535D+01  0.129670D+01  0.641436D+01 -0.993487D+01
      5   0.694315D+01  0.625574D+01  0.670703D+01 -0.506627D+01 -0.675930D+01
      6   0.449440D+01  0.105783D+02 -0.248116D+01  0.669563D+01  0.254990D+01
                11            12            13            14            15 
      1   0.867631D+01 -0.123939D+01  0.117318D+02 -0.324035D+01  0.555639D+01
      2  -0.851582D+01  0.348086D+01 -0.140675D+02  0.737737D+01 -0.106868D+01
      3  -0.160489D+00 -0.224147D+01  0.233568D+01 -0.413702D+01 -0.448772D+01
      4   0.749116D+00 -0.319531D+01  0.137497D+02 -0.913365D+01 -0.701612D+00
      5  -0.374181D+01  0.938617D+01  0.138912D+02  0.904151D+00 -0.403042D+01
      6   0.952459D+00 -0.742645D+01 -0.377555D+01  0.444989D+01  0.885704D+01
                16            17            18            19            20 
      1  -0.695244D+01  0.634639D+01 -0.186131D+02  0.711372D+01 -0.137098D+02
      2  -0.231452D+01  0.453346D+01  0.213873D+01  0.739685D+00  0.131008D+02
      3   0.926696D+01 -0.108798D+02  0.164744D+02 -0.785340D+01  0.608983D+00
      4   0.158532D+02 -0.251434D+00 -0.247184D+01 -0.936504D+01 -0.576631D+00
      5  -0.155268D+02 -0.355917D+01 -0.277858D+01  0.134137D+02  0.198712D+01
      6  -0.519838D+01  0.131184D+01 -0.402195D+01 -0.172918D+01 -0.631364D+01
                21            22            23            24            25 
      1   0.220027D+02  0.428890D+01 -0.119858D+02 -0.482338D+01 -0.175794D+02
      2  -0.125441D+02  0.401084D+01  0.182215D+02 -0.109113D+02  0.105207D+01
      3  -0.945866D+01 -0.829975D+01 -0.623568D+01  0.157347D+02  0.165274D+02
      4   0.272643D+01  0.143509D+02  0.660615D+01 -0.232450D+01 -0.372834D+01
      5  -0.111638D+02 -0.103362D+01 -0.146816D+01 -0.128137D+01  0.928368D+01
      6   0.684563D+01 -0.481084D+00 -0.781104D+01  0.618774D+01 -0.101480D+02
                26            27            28            29            30 
      1  -0.350127D+01  0.731341D+01  0.171153D+02 -0.398109D+01  0.276295D+01
      2  -0.391872D+01 -0.917018D+00 -0.385393D+01  0.743330D+01  0.329065D+00
      3   0.741999D+01 -0.639639D+01 -0.132614D+02 -0.345221D+01 -0.309202D+01
      4  -0.215784D+01 -0.573474D+01  0.187518D+02  0.199688D+01 -0.226151D+01
      5  -0.580215D+01  0.726392D+01  0.385453D+01 -0.184659D+01  0.739630D+01
      6   0.177558D+01  0.770201D+01  0.350811D+01 -0.101812D+01  0.554270D+01
                31            32            33            34            35 
      1  -0.353705D+01 -0.174155D+01  0.711159D+01 -0.701133D+01  0.875045D+01
      2   0.844240D+01  0.516751D+01 -0.208782D+01  0.160545D+01  0.307136D+01
      3  -0.490535D+01 -0.342595D+01 -0.502376D+01  0.540588D+01 -0.118218D+02
      4   0.134897D+02  0.125258D+01  0.160373D+01  0.112960D+02  0.542926D+01
      5   0.124921D+02  0.287223D+00  0.149165D+01 -0.182022D+02  0.340516D+01
      6  -0.135083D+01  0.361618D+01  0.608957D+01 -0.912175D+00  0.491386D+00
                36            37            38            39            40 
      1  -0.169555D+02 -0.395323D+01  0.512467D+01 -0.247176D+02 -0.857402D+01
      2   0.299127D+01 -0.163831D+01 -0.164964D+01  0.648978D+01 -0.186625D+01
      3   0.139642D+02  0.559154D+01 -0.347504D+01  0.182278D+02  0.104403D+02
      4   0.180791D+01  0.631277D+01 -0.167766D+01  0.308880D+01  0.319328D+01
      5   0.128911D+01 -0.167979D+02  0.279152D+01 -0.189802D+01  0.123218D+01
      6  -0.675908D+01  0.295683D+01  0.561858D+01  0.669506D+01  0.261565D+01
                41            42            43            44            45 
      1  -0.592510D+01 -0.579195D+01  0.219002D+02 -0.895341D+01  0.647670D+01
      2   0.578733D+01  0.248887D+00 -0.236572D-01  0.158100D+01 -0.128675D+01
      3   0.137773D+00  0.554306D+01 -0.218765D+02  0.737241D+01 -0.518995D+01
      4  -0.341363D+00  0.349006D+01  0.204698D+01  0.391154D+01  0.610528D+01
      5   0.157268D+01  0.738797D+01  0.115812D+02  0.515216D+01 -0.592167D+01
      6   0.299320D+01  0.852803D+01  0.106139D+02  0.277272D+01  0.106536D+02
                46            47            48            49            50 
      1  -0.481958D+00 -0.855527D+01  0.210104D+02  0.122644D+02 -0.275404D+01
      2   0.690789D+01  0.335097D+01 -0.752662D+01 -0.335647D+01  0.286389D+01
      3  -0.642593D+01  0.520430D+01 -0.134837D+02 -0.890795D+01 -0.109846D+00
      4  -0.399429D+01  0.259637D+01 -0.174700D+01  0.823939D+01  0.449467D+01
      5   0.200160D+02  0.139411D+00 -0.823520D+01 -0.838426D+01 -0.381628D+01
      6   0.430719D+00 -0.386432D+01  0.310786D-01 -0.157972D+01  0.459588D+01
                51            52            53            54            55 
      1  -0.174578D+02 -0.227603D+02 -0.960682D+01  0.404368D+01 -0.271683D+02
      2   0.308064D+01  0.366900D+01  0.255970D+01  0.453738D+01  0.126055D+02
      3   0.143772D+02  0.190913D+02  0.704712D+01 -0.858106D+01  0.145628D+02
      4  -0.434247D+01  0.363538D+01 -0.258301D+01 -0.468101D+01 -0.831674D+01
      5  -0.246257D+01  0.989911D+01 -0.365237D+01  0.591598D+01 -0.551427D+01
      6   0.133656D+02 -0.573964D+01  0.666792D+01  0.138468D+02  0.141231D+01
                56            57            58            59            60 
      1  -0.101255D+02 -0.521932D+01 -0.345370D+02 -0.253120D+02  0.152928D+01
      2   0.689412D+01  0.298073D+00  0.242843D+02  0.697218D+01  0.603546D+01
      3   0.323138D+01  0.492125D+01  0.102527D+02  0.183398D+02 -0.756474D+01
      4  -0.280868D+02  0.107739D+01 -0.472839D+02  0.106962D+02 -0.154922D+02
      5   0.584011D+00 -0.135562D+02 -0.748392D+00 -0.152480D+02  0.153161D+02
      6   0.114191D+00  0.149749D+01 -0.335244D+00  0.441188D+01 -0.563081D+01
                61            62            63            64            65 
      1  -0.151262D+02  0.697494D+00 -0.384516D+01 -0.871875D+02  0.292873D+02
      2  -0.174007D+01  0.742990D+01  0.681329D+01  0.472834D+02 -0.131694D+02
      3   0.168663D+02 -0.812739D+01 -0.296813D+01  0.399041D+02 -0.161179D+02
      4  -0.605181D+00 -0.202585D+02  0.273067D+02  0.285661D+02  0.258871D+02
      5  -0.249392D+02  0.239131D+02  0.347863D+02  0.229997D+02 -0.266377D+01
      6   0.116497D+02 -0.571525D+01 -0.107447D+02  0.990195D+00 -0.309071D+01
                66            67            68            69            70 
      1   0.229779D+02  0.612391D+02  0.254279D+02 -0.767608D+01  0.333160D+02
      2  -0.132002D+02 -0.280840D+02 -0.124430D+02  0.847190D+01 -0.133257D+02
      3  -0.977777D+01 -0.331551D+02 -0.129850D+02 -0.795814D+00 -0.199903D+02
      4  -0.161662D+01  0.311185D+02  0.954351D+01  0.236680D+02  0.306940D+01
      5   0.939162D+01 -0.133444D+01  0.251605D+02 -0.242440D+02  0.308920D+00
      6   0.217211D+01  0.178994D+01  0.704141D+01 -0.559562D+01 -0.315245D+01
                71            72            73            74            75 
      1  -0.376721D+01  0.526450D+01  0.385932D+02 -0.225364D+02 -0.181152D+02
      2   0.827063D+01 -0.195869D+01 -0.207414D+02  0.451789D+01  0.103151D+02
      3  -0.450342D+01 -0.330581D+01 -0.178518D+02  0.180185D+02  0.780011D+01
      4   0.225362D+02 -0.190179D+02 -0.208940D+02 -0.318518D+02 -0.548793D+01
      5  -0.196774D+02 -0.333903D+02 -0.981482D+01 -0.764207D+01 -0.182118D+02
      6  -0.657745D+01 -0.546106D+01 -0.145723D+02 -0.901610D+01 -0.658358D+00
                76            77            78            79            80 
      1  -0.288891D+02 -0.268852D+02 -0.135006D+01 -0.202528D+02  0.115630D+01
      2   0.557568D+01  0.175114D+02 -0.129383D+02  0.102476D+02 -0.124748D+02
      3   0.233134D+02  0.937380D+01  0.142884D+02  0.100053D+02  0.113185D+02
      4  -0.404795D+02 -0.135475D+02 -0.361864D+02 -0.148286D+01 -0.253064D+02
      5  -0.798454D+01 -0.427956D+02  0.244925D+02 -0.105018D+02  0.213799D+02
      6  -0.145468D+02 -0.640680D+01 -0.936736D+01  0.203819D+01 -0.779535D+01
                81            82            83            84            85 
      1  -0.117667D+02  0.369323D+02 -0.211195D+02 -0.119398D+02 -0.305411D+02
      2   0.753760D+00 -0.357976D+02 -0.458577D+00  0.572085D+01  0.815121D+00
      3   0.110130D+02 -0.113474D+01  0.215781D+02  0.621897D+01  0.297260D+02
      4   0.186141D+02 -0.177769D+02 -0.390857D+02 -0.113778D+00 -0.414344D+02
      5   0.144408D+02 -0.145498D+02  0.613417D+01 -0.595638D+01  0.434375D+01
      6   0.142514D+02  0.123860D+01  0.457587D+01 -0.333331D+01  0.338579D+01
                86            87            88            89            90 
      1  -0.283733D+02  0.926415D+01 -0.136315D+02  0.314365D+01 -0.938921D+00
      2   0.719895D+00 -0.619671D+01  0.870301D+00 -0.696519D+01  0.242002D+02
      3   0.276535D+02 -0.306743D+01  0.127612D+02  0.382153D+01 -0.232612D+02
      4  -0.321802D+02 -0.148715D+02 -0.102243D+02 -0.226452D+02  0.120885D+02
      5  -0.126444D+02  0.233787D+02 -0.412886D+01  0.155390D+02  0.474190D+02
      6  -0.656639D+01  0.117717D+02 -0.135775D+01  0.110162D+02  0.952358D+01
                91            92            93            94            95 
      1   0.445762D+01 -0.340821D+01 -0.696870D+01 -0.746775D+01 -0.159912D+02
      2  -0.477008D+01 -0.116946D+01  0.128786D+01  0.789000D+01  0.757974D+01
      3   0.312456D+00  0.457767D+01  0.568084D+01 -0.422252D+00  0.841148D+01
      4  -0.159407D+02 -0.156625D+02 -0.493858D+01 -0.355333D+02  0.176256D+02
      5  -0.181118D+02 -0.319832D+01 -0.110275D+02 -0.109716D+02 -0.647725D+01
      6  -0.697874D+00 -0.612628D+01 -0.675146D+01 -0.213169D+01  0.200021D+01
                96            97            98            99           100 
      1  -0.733891D+01 -0.193837D+02 -0.802800D+01 -0.512640D+01  0.816845D+01
      2   0.342527D+01  0.403304D+01 -0.125256D+01  0.666291D+01 -0.297238D+01
      3   0.391365D+01  0.153507D+02  0.928057D+01 -0.153651D+01 -0.519607D+01
      4  -0.637529D+01 -0.194992D+02 -0.708966D+01 -0.215964D+02  0.934514D+01
      5  -0.193585D+02 -0.198280D+02 -0.204214D+02  0.205529D+02  0.115678D+02
      6  -0.310237D+01 -0.968958D+01 -0.498015D+01  0.726647D+01 -0.567703D+01
               101           102           103           104           105 
      1   0.269317D+01  0.430515D+01  0.141903D+02  0.587270D+01  0.166707D+01
      2  -0.615989D+00 -0.285565D+01 -0.130235D+02 -0.501161D+00  0.348284D+01
      3  -0.207718D+01 -0.144950D+01 -0.116684D+01 -0.537154D+01 -0.514991D+01
      4   0.164521D+01 -0.397997D+01 -0.205540D+01 -0.109343D+02  0.974633D+01
      5  -0.524437D+01 -0.335601D+01 -0.122661D+02  0.118735D+02  0.327575D+02
      6   0.390902D+01  0.707164D+01  0.568446D+01 -0.116108D+02 -0.195376D+02
               106           107           108           109           110 
      1   0.146354D+02  0.534555D+00  0.461733D+00  0.174113D+02 -0.139297D+02
      2  -0.119916D+01 -0.909983D+01  0.247854D+01 -0.105388D+02  0.655659D+01
      3  -0.134362D+02  0.856527D+01 -0.294027D+01 -0.687252D+01  0.737311D+01
      4  -0.117581D+02  0.256615D+02  0.251552D+02 -0.192058D+02  0.167982D+02
      5  -0.210731D+02  0.260769D+02  0.176539D+02 -0.278520D+02  0.928390D+01
      6   0.135618D+02 -0.225498D+02 -0.126053D+02  0.115696D+02 -0.292813D+01
               111           112           113           114           115 
      1  -0.210288D+02 -0.132446D+02 -0.852223D+01 -0.694086D+01 -0.256783D+02
      2   0.134880D+02  0.367443D+01  0.175871D+02  0.459571D+01  0.153069D+02
      3   0.754079D+01  0.957013D+01 -0.906487D+01  0.234515D+01  0.103714D+02
      4   0.121012D+02  0.272886D+02 -0.335339D+02 -0.239314D+02  0.242918D+02
      5   0.207401D+02  0.181300D+02 -0.261776D+02 -0.285717D+02  0.358507D+02
      6  -0.503869D+01 -0.825764D+01  0.249871D+02  0.268933D+02 -0.143712D+02
               116           117           118           119           120 
      1  -0.578455D+01 -0.637330D+01  0.618347D+01 -0.316170D+01  0.119274D+02
      2   0.758834D+01 -0.139678D+02 -0.675490D+01  0.787579D+01 -0.786413D+01
      3  -0.180379D+01  0.203411D+02  0.571428D+00 -0.471409D+01 -0.406331D+01
      4  -0.324500D+02 -0.262899D+02  0.189228D+01 -0.741081D+01 -0.354159D+01
      5  -0.292917D+02 -0.651096D+02  0.104783D+02  0.108990D+01  0.742374D+01
      6   0.280439D+02  0.366373D+02 -0.385767D+01 -0.173163D+01 -0.155124D+01
               121           122           123           124           125 
      1   0.127780D+01 -0.392474D+01  0.300550D+01  0.169069D+02  0.122478D+01
      2   0.990243D+01 -0.180336D+02 -0.138982D+00 -0.931046D+01 -0.225932D+01
      3  -0.111802D+02  0.219583D+02 -0.286652D+01 -0.759643D+01  0.103454D+01
      4  -0.182176D+02  0.464753D+02  0.578148D+00 -0.965217D+01  0.102914D+02
      5   0.156543D+01  0.190398D-01 -0.204894D+01  0.168715D+02 -0.109910D+02
      6  -0.398802D+01  0.370016D+01  0.700012D+01 -0.460945D+01  0.133585D+02
               126           127           128           129           130 
      1  -0.156239D+01  0.265414D+01  0.241089D+01 -0.137879D+01 -0.241746D+00
      2  -0.708845D+01 -0.244266D+01 -0.267221D+01 -0.167869D+01  0.889581D+00
      3   0.865083D+01 -0.211482D+00  0.261321D+00  0.305748D+01 -0.647834D+00
      4  -0.102786D+02 -0.991538D+01  0.755764D+01 -0.789670D+01  0.524555D+01
      5   0.301137D+02  0.152510D+02 -0.545605D+01  0.138286D+02 -0.771077D+01
      6  -0.173138D+02 -0.842819D+01  0.588473D+01 -0.856596D+01  0.548994D+01
               131           132           133           134           135 
      1  -0.350902D+01  0.464095D+01 -0.388824D+01  0.772336D+01 -0.140947D+02
      2   0.177370D+01  0.109757D+00 -0.185327D+01 -0.411349D+01 -0.203219D+01
      3   0.173532D+01 -0.475071D+01  0.574151D+01 -0.360987D+01  0.161269D+02
      4  -0.549392D+01  0.569024D+01 -0.842927D+01  0.750072D+01 -0.104457D+02
      5   0.491535D+01 -0.825354D+01  0.150649D+02 -0.762449D+01  0.202074D+02
      6  -0.609366D+01  0.853456D+01 -0.103983D+02  0.119062D+02 -0.185524D+02
               136           137           138           139           140 
      1  -0.274463D+01 -0.177749D+01  0.556285D+01 -0.214626D+01 -0.407086D+01
      2  -0.265598D+01  0.312730D+00  0.282349D+01 -0.532422D+00  0.775139D+00
      3   0.540062D+01  0.146476D+01 -0.838634D+01  0.267868D+01  0.329572D+01
      4   0.520477D+01  0.366352D+01 -0.534911D+01  0.201814D+01  0.151306D+01
      5  -0.865055D+01 -0.324567D+01  0.112394D+02 -0.303290D+01 -0.219627D+01
      6  -0.589973D+01 -0.347782D+01  0.643731D+01 -0.273535D+01 -0.463028D+01
               141           142           143           144           145 
      1   0.775569D+01  0.723978D+01  0.103418D+02 -0.279921D+02  0.642257D+01
      2   0.696678D+00  0.199309D+01 -0.302786D+01 -0.528436D+01 -0.578913D+01
      3  -0.845237D+01 -0.923287D+01 -0.731397D+01  0.332765D+02 -0.633438D+00
      4  -0.258767D+01 -0.569339D+01 -0.510573D+01  0.781120D+01 -0.527662D+01
      5   0.344506D+01  0.103430D+02  0.481987D+01 -0.160248D+02  0.118443D+02
      6   0.812078D+01  0.848177D+01  0.126461D+02 -0.233243D+02 -0.102548D+01
               146           147           148           149           150 
      1  -0.174187D+01 -0.157086D+01 -0.211831D+01  0.358038D+00  0.508502D+01
      2   0.922030D+00 -0.472439D+01  0.207266D+01 -0.422267D+00  0.286199D+01
      3   0.819839D+00  0.629525D+01  0.456486D-01  0.642288D-01 -0.794701D+01
      4   0.612937D+01 -0.483562D+00  0.595022D+01 -0.504003D+01  0.678780D+00
      5  -0.295739D+01  0.100958D+02 -0.468351D+01  0.315361D+01 -0.624639D+01
      6   0.203906D+01 -0.809701D+00  0.116039D+01 -0.297032D+01  0.182392D+01
               151           152           153           154           155 
      1  -0.405805D+01  0.463994D+01 -0.128906D+02  0.265744D+00  0.720368D+00
      2  -0.624880D+01  0.137485D+01 -0.945069D+01 -0.557123D+01 -0.144299D+01
      3   0.103068D+02 -0.601479D+01  0.223413D+02  0.530549D+01  0.722621D+00
      4   0.377157D+00  0.177578D+01 -0.172491D+01  0.127826D+01  0.264044D+01
      5   0.125935D+02 -0.392975D+01  0.157763D+02 -0.953567D+01 -0.216591D+01
      6  -0.119902D+01  0.453271D+01 -0.302242D+01  0.820611D+00 -0.153450D+01
               156           157           158           159           160 
      1   0.282482D+01 -0.174499D+01 -0.241082D+01  0.647213D+01  0.355800D+01
      2   0.580484D+01 -0.526872D+00 -0.595775D+00  0.292360D+01  0.738257D+01
      3  -0.862966D+01  0.227186D+01  0.300660D+01 -0.939574D+01 -0.109406D+02
      4  -0.372081D+00  0.156991D+01  0.110102D+01 -0.133834D+01 -0.178217D+01
      5   0.119427D+02 -0.215354D+01 -0.247812D+01  0.346330D+01  0.128264D+02
      6  -0.161656D+01 -0.105851D+01 -0.234582D+01  0.127345D+01  0.404965D-01
               161           162           163           164           165 
      1   0.333568D+01 -0.218850D+02  0.945673D+01 -0.265270D+01 -0.839189D+01
      2   0.223400D+01 -0.160258D+02 -0.754033D+01  0.821303D+00  0.607055D+01
      3  -0.556969D+01  0.379108D+02 -0.191640D+01  0.183140D+01  0.232134D+01
      4  -0.329684D+01  0.182691D+01 -0.632172D+01  0.102307D+02  0.673385D+01
      5   0.385215D+01 -0.206078D+02 -0.152078D+02  0.497236D+01  0.158087D+02
      6   0.499323D+01  0.528019D-01  0.453039D+01 -0.188550D+01 -0.316381D+01
               166           167           168           169           170 
      1   0.375631D+01  0.120091D+01 -0.248389D+01 -0.163756D+02 -0.387608D+01
      2  -0.303842D+01  0.839758D+00  0.122295D+01  0.136203D+02  0.774911D+00
      3  -0.717885D+00 -0.204066D+01  0.126094D+01  0.275526D+01  0.310117D+01
      4   0.120190D+02 -0.987662D+01 -0.895238D+01  0.131942D+02 -0.152453D+02
      5   0.487576D+01 -0.890959D+01 -0.950553D+01  0.276875D+02 -0.189062D+02
      6  -0.327499D+01  0.628290D+01  0.928512D+01 -0.943699D+01  0.119817D+02
               171           172           173           174           175 
      1  -0.285267D+01  0.196329D+02 -0.983303D+01  0.631909D+01 -0.110216D+02
      2  -0.111133D+02 -0.412001D+01 -0.208647D+00 -0.177810D+01 -0.333118D+01
      3   0.139660D+02 -0.155129D+02  0.100417D+02 -0.454099D+01  0.143528D+02
      4  -0.221971D+02 -0.215942D+02  0.247555D+02 -0.587765D+01  0.318878D+02
      5  -0.478864D+02  0.905955D+01 -0.389260D+01  0.781488D+01 -0.515633D+01
      6   0.187131D+02 -0.307668D+01  0.647347D+00 -0.183091D+01  0.232116D+01
               176           177           178           179           180 
      1   0.390221D+01 -0.478182D+00  0.182529D+02 -0.771910D+00  0.258118D+01
      2   0.166224D+02 -0.423207D+01 -0.482450D+01 -0.669793D+01  0.467630D-01
      3  -0.205247D+02  0.471025D+01 -0.134284D+02  0.746984D+01 -0.262795D+01
      4  -0.439692D+02  0.119380D+02 -0.154315D+02  0.233940D+02 -0.140356D+02
      5   0.108579D+02 -0.896118D+01  0.108456D+02 -0.122946D+02  0.815601D+01
      6  -0.468791D+01  0.564471D+01 -0.456146D+01  0.633641D+01 -0.419937D+01
               181           182           183           184           185 
      1   0.140473D+03 -0.169787D+02 -0.159318D+02 -0.260891D+02  0.133663D+02
      2  -0.713281D+02  0.887044D+01  0.782842D+01  0.129330D+02 -0.487465D+01
      3  -0.691448D+02  0.810822D+01  0.810333D+01  0.131561D+02 -0.849167D+01
      4  -0.128109D+02  0.136765D+02  0.153660D+01  0.168954D+02 -0.852494D+01
      5  -0.183248D+02  0.217317D+01  0.164204D+02  0.222466D+01 -0.584165D+01
      6   0.661454D+00 -0.106965D+01  0.139902D+01 -0.124785D+01 -0.107345D+00
               186           187           188           189           190 
      1   0.280947D+01 -0.190017D+02  0.199281D+01  0.156860D+02 -0.478798D+02
      2  -0.200292D+01  0.107008D+02 -0.192673D+01 -0.976333D+01  0.236495D+02
      3  -0.806548D+00  0.830093D+01 -0.660861D-01 -0.592265D+01  0.242303D+02
      4  -0.542723D+01  0.449965D+00 -0.521030D+01 -0.220470D-01 -0.581164D+01
      5  -0.500711D+00  0.223320D+02 -0.305820D+00 -0.424565D+01 -0.115591D+02
      6   0.247504D+01  0.101653D+00  0.267208D+01  0.733302D+00  0.530941D+01
               191           192           193           194           195 
      1   0.876268D+01  0.127532D+02  0.609123D+01 -0.839276D+01 -0.580079D+01
      2  -0.530965D+01 -0.177553D+01 -0.297705D+01  0.511224D+01  0.370440D+01
      3  -0.345303D+01 -0.109777D+02 -0.311417D+01  0.328052D+01  0.209639D+01
      4  -0.356237D+01 -0.157605D+01  0.725884D+00  0.265665D+01  0.492169D+01
      5  -0.176083D+01 -0.756506D+01 -0.310186D+00  0.394136D+01 -0.246580D-01
      6  -0.565492D+01 -0.662387D+01 -0.255262D+01  0.374963D+01  0.474518D+01
               196           197           198           199           200 
      1   0.853077D+01 -0.359585D+01 -0.891660D+01  0.316817D+02  0.197728D+02
      2  -0.164380D+01  0.201043D+01  0.635909D+00 -0.135262D+02 -0.480221D+01
      3  -0.688698D+01  0.158543D+01  0.828069D+01 -0.181555D+02 -0.149706D+02
      4  -0.170375D+00  0.319657D+01 -0.156433D+01  0.322999D+02  0.311162D+02
      5   0.154217D+01 -0.161184D+01  0.298531D+01  0.255441D+02  0.163065D+02
      6  -0.357512D+01  0.382527D+01  0.189642D+01  0.119142D+02  0.114058D+02
               201           202           203           204           205 
      1   0.123222D+02  0.249700D+02  0.147147D+02  0.580890D+01  0.712684D+01
      2  -0.872962D+01 -0.654919D+01  0.311902D+01 -0.301950D+01 -0.595235D+01
      3  -0.359256D+01 -0.184208D+02 -0.178337D+02 -0.278940D+01 -0.117449D+01
      4   0.131257D+02  0.389996D+02  0.474698D+02  0.229331D+02  0.935828D+01
      5   0.210242D+02  0.238794D+02  0.268152D+02  0.210386D+02  0.172188D+02
      6   0.786344D+01  0.148198D+02  0.203861D+02  0.146655D+02  0.687998D+01
               206           207           208           209           210 
      1   0.179323D+01  0.613152D+01  0.100889D+02 -0.601031D+01  0.115188D+02
      2  -0.157999D+01 -0.536065D+01 -0.860605D+01  0.563949D+01 -0.105787D+02
      3  -0.213242D+00 -0.770870D+00 -0.148281D+01  0.370825D+00 -0.940050D+00
      4   0.119218D+02  0.111146D+02 -0.660005D+01  0.124211D+02 -0.557433D+01
      5   0.116241D+02  0.137658D+02  0.162170D+02 -0.785081D+01  0.180608D+02
      6   0.101391D+02  0.720321D+01 -0.135703D+01  0.425577D+01 -0.170433D+01
               211           212           213           214           215 
      1  -0.118829D+02  0.638108D+01 -0.385048D+01  0.106639D+02 -0.156200D+01
      2   0.109125D+02 -0.874075D+01  0.147616D+02 -0.113725D+02  0.990454D+01
      3   0.970328D+00  0.235967D+01 -0.109111D+02  0.708600D+00 -0.834254D+01
      4   0.130941D+02 -0.259550D+02  0.210852D+02 -0.547363D+01  0.161086D+02
      5  -0.160613D+02  0.239894D+02 -0.328784D+02  0.191200D+02 -0.187464D+02
      6   0.495609D+01 -0.118811D+02  0.914227D+01 -0.222584D+01  0.956403D+01
               216           217           218           219           220 
      1   0.218697D+01  0.136831D+01  0.203904D+01 -0.798891D+01 -0.135492D+01
      2  -0.185021D+02 -0.271862D+01  0.449986D+00  0.673146D+01  0.274655D+01
      3   0.163151D+02  0.135031D+01 -0.248902D+01  0.125745D+01 -0.139163D+01
      4  -0.168984D+02  0.293183D+01  0.652780D+01 -0.249126D+01  0.428189D+01
      5   0.351913D+02 -0.102767D+02 -0.106213D+01  0.139686D+02  0.162922D+01
      6  -0.733249D+01 -0.241265D+01 -0.135167D+01  0.199233D+01 -0.732252D+00
               221           222           223           224           225 
      1   0.586290D+00 -0.628348D-01 -0.905015D+01  0.190640D+01 -0.112487D+02
      2  -0.143392D+01 -0.508603D+01  0.900339D+01 -0.428392D+01 -0.252972D+02
      3   0.847632D+00  0.514887D+01  0.467633D-01  0.237752D+01  0.365459D+02
      4  -0.269562D+00 -0.439188D+01 -0.514549D+01 -0.891118D+01  0.321508D+01
      5  -0.529299D+01 -0.114048D+02  0.175128D+02  0.233499D+01 -0.669117D+02
      6   0.363553D+00  0.269540D+01  0.440091D+01  0.738012D+01 -0.230666D+02
               226           227           228           229           230 
      1   0.247606D+02  0.184525D+02  0.164103D+01  0.187509D+02  0.100168D+02
      2  -0.106274D+00  0.589108D+01  0.277978D+00  0.732073D+01  0.265926D+02
      3  -0.246543D+02 -0.243436D+02 -0.191900D+01 -0.260716D+02 -0.366093D+02
      4   0.377899D+02  0.423574D+02 -0.157210D+01  0.454387D+02  0.660803D+02
      5  -0.377312D+01 -0.525175D+01  0.944367D+01 -0.589058D+01 -0.500950D+01
      6  -0.317339D+01 -0.482347D+01  0.534391D+01 -0.497249D+01 -0.849400D+01
               231           232           233           234           235 
      1  -0.393850D+00  0.662199D+01  0.187834D+01  0.324626D+01 -0.390474D+02
      2   0.975187D+00  0.338854D+00  0.485679D+01 -0.140636D+01  0.273505D+02
      3  -0.581337D+00 -0.696084D+01 -0.673512D+01 -0.183989D+01  0.116969D+02
      4  -0.175254D+01  0.803888D+01  0.129279D+02  0.670875D+01 -0.926656D+01
      5   0.714836D+01  0.694060D+01  0.527133D+01 -0.141004D+01  0.103327D+02
      6   0.648315D+01  0.392069D+01  0.441437D+01  0.381295D+00 -0.605549D+00
               236           237           238           239           240 
      1   0.159622D+02  0.690578D+00  0.165799D+02 -0.603793D+01 -0.717085D+00
      2  -0.145420D+02 -0.154370D+01 -0.966397D+01  0.107537D+02  0.552239D+00
      3  -0.142013D+01  0.853123D+00 -0.691596D+01 -0.471580D+01  0.164846D+00
      4  -0.191081D+01  0.265688D+01  0.102319D+02  0.874648D+01 -0.483567D+00
      5  -0.285491D+00 -0.577499D+01 -0.441371D+01  0.683079D+00  0.101144D+00
      6   0.300198D+01 -0.474787D+01 -0.487396D-01 -0.224624D+01  0.129108D+01
               241           242           243           244           245 
      1   0.474740D+01 -0.323890D+01 -0.511875D+01  0.243751D+01  0.379743D+01
      2  -0.309431D+01  0.383821D+01  0.161588D-02 -0.386181D+01 -0.201629D+01
      3  -0.165309D+01 -0.599315D+00  0.511714D+01  0.142430D+01 -0.178114D+01
      4   0.564375D+00  0.319917D+01 -0.129924D+01  0.615750D+01  0.666908D+01
      5  -0.884380D+00 -0.172319D-01 -0.322497D+01 -0.102228D+02 -0.243153D+01
      6  -0.222987D+01  0.128103D+01 -0.611100D+00 -0.413860D+01 -0.512158D+00
               246           247           248           249           250 
      1  -0.577763D+01  0.455446D+01 -0.240689D+00  0.198409D+01 -0.800911D+01
      2   0.437871D+01 -0.218144D+01  0.119986D+01 -0.138057D+01  0.745607D+01
      3   0.139892D+01 -0.237303D+01 -0.959169D+00 -0.603528D+00  0.553040D+00
      4  -0.329506D+01  0.999236D+01  0.615951D+01 -0.703389D+01 -0.581565D+01
      5   0.116141D+02 -0.338828D+01 -0.722906D+01  0.104145D+02  0.158683D+02
      6   0.240876D+01 -0.197527D+01 -0.575403D+01  0.780651D+01  0.409608D+01
               251           252           253           254           255 
      1   0.213258D+01 -0.441080D+01 -0.798922D+02 -0.387903D+01  0.829406D+01
      2   0.767116D+00 -0.955750D+01  0.405929D+02  0.931056D+01 -0.576307D+01
      3  -0.289969D+01  0.139683D+02  0.392994D+02 -0.543153D+01 -0.253098D+01
      4  -0.103867D+02  0.104692D+02 -0.780531D+01  0.247828D+02  0.109079D+02
      5   0.921060D+01 -0.341849D+02  0.125216D+02  0.807788D+01  0.145058D+02
      6   0.741229D+01 -0.123542D+02  0.908070D+01  0.593405D+01  0.518152D+01
               256           257           258           259           260 
      1   0.157741D+02  0.339783D+02  0.298084D+01  0.289114D+02  0.336630D+01
      2  -0.467362D+01 -0.378072D+02 -0.679636D+01 -0.126321D+02 -0.289934D+01
      3  -0.111005D+02  0.382890D+01  0.381553D+01 -0.162793D+02 -0.466959D+00
      4   0.272229D+02 -0.274339D+02  0.557296D+01  0.204838D+02  0.146675D+02
      5   0.121486D+02  0.817262D+01  0.176959D+02  0.205150D+02  0.194146D+02
      6   0.641239D+01 -0.391789D+01  0.601613D+01  0.866995D+01  0.817701D+01
               261           262           263           264           265 
      1   0.152393D+02  0.671509D+01 -0.828034D+01  0.251655D+01 -0.690810D+01
      2   0.556633D+01  0.182086D+01 -0.957212D+00 -0.145367D+00 -0.844529D+01
      3  -0.208056D+02 -0.853595D+01  0.923755D+01 -0.237119D+01  0.153534D+02
      4   0.227117D+02 -0.140061D+02  0.175050D+02 -0.387329D+01  0.287278D+02
      5  -0.181660D+02  0.498832D+01 -0.417135D+01  0.358640D+01 -0.764300D+01
      6  -0.278938D+01 -0.324098D+01  0.296254D+01 -0.143591D+01  0.597781D+01
               266           267           268           269           270 
      1  -0.534773D+01  0.680150D+00  0.534374D+00  0.971771D+00 -0.741630D+00
      2   0.344665D+02 -0.579580D+01 -0.203659D+01  0.354013D+01  0.146492D+01
      3  -0.291188D+02  0.511565D+01  0.150221D+01 -0.451190D+01 -0.723285D+00
      4  -0.615993D+02  0.128607D+02  0.167156D+01 -0.362955D+01 -0.423896D+01
      5   0.139210D+02 -0.108574D+02  0.305202D+01 -0.431711D+01  0.438537D+01
      6  -0.145316D+02  0.803253D+01 -0.186270D+01  0.470326D+01 -0.299894D+01
               271           272           273           274           275 
      1   0.511981D+01 -0.557976D+00  0.497812D+01 -0.720382D+01 -0.564952D+01
      2  -0.523025D+01 -0.703749D+00 -0.177864D+01  0.372665D+01  0.296166D+01
      3   0.110442D+00  0.126172D+01 -0.319948D+01  0.347718D+01  0.268785D+01
      4  -0.174479D+01 -0.328062D+01 -0.443517D+00 -0.309080D+01 -0.182120D+01
      5   0.246168D+01 -0.172148D+01 -0.274711D+00 -0.441415D+01  0.329173D+01
      6  -0.657567D+00 -0.154719D+01 -0.117785D+01 -0.862885D+00 -0.249155D+00
               276           277           278           279           280 
      1  -0.268563D+00  0.110188D+02 -0.782098D-01 -0.113139D+02  0.127691D+03
      2   0.472920D+01 -0.722341D+01  0.433875D+01 -0.155386D+02 -0.609323D+02
      3  -0.446064D+01 -0.379539D+01 -0.426054D+01  0.268525D+02 -0.667585D+02
      4   0.358523D+01  0.483411D+01  0.916044D+01 -0.343419D+01  0.395205D+02
      5  -0.940745D+01  0.103098D+02 -0.253516D+01  0.428185D+02  0.976120D+01
      6   0.938053D+00  0.155610D+01  0.371198D+01  0.122304D+02 -0.654943D+00
               281           282           283           284           285 
      1   0.884345D+01 -0.141839D+01 -0.714660D+01  0.655791D+01 -0.266047D+00
      2  -0.869368D+00 -0.234250D+00  0.600103D+01 -0.173822D+00  0.579083D+00
      3  -0.797409D+01  0.165264D+01  0.114558D+01 -0.638409D+01 -0.313036D+00
      4   0.175379D+02  0.832735D+00  0.116392D+02  0.537523D+01 -0.105250D+01
      5   0.141377D+01  0.132359D+02 -0.134502D+01 -0.752925D+00 -0.227452D+01
      6   0.176749D+01  0.361335D+01  0.499393D+00  0.461800D+00  0.187854D+00
               286           287           288           289           290 
      1  -0.168553D+02 -0.157244D+01  0.851249D+01  0.185220D+01  0.122260D+02
      2   0.704168D+01 -0.104695D+00 -0.637414D+01  0.188993D+01 -0.123062D+02
      3   0.981358D+01  0.167714D+01 -0.213834D+01 -0.374213D+01  0.802301D-01
      4  -0.679490D+01 -0.443544D+01  0.109823D+01  0.386773D+01 -0.576864D+01
      5   0.117421D+02 -0.623688D+00 -0.685624D+00 -0.167827D+01 -0.491884D+00
      6   0.299755D+01  0.633212D+00 -0.506464D+00 -0.172219D+00 -0.246174D+01
               291           292           293           294           295 
      1   0.122551D+00  0.112804D+02 -0.301452D+02 -0.271501D+01 -0.398264D+01
      2  -0.134622D+00 -0.351591D+01  0.520722D+02  0.283188D+01  0.102826D+01
      3   0.120717D-01 -0.776445D+01 -0.219270D+02 -0.116875D+00  0.295438D+01
      4  -0.197422D+01  0.121979D+02  0.591411D+02  0.600709D+01 -0.309323D+01
      5  -0.247028D+01  0.306743D+01  0.356160D+01  0.723785D+01  0.794682D-01
      6  -0.220806D+01  0.692152D+00  0.114036D+02  0.765641D+01 -0.223283D+00
               296           297 
      1  -0.776875D+00 -0.525463D+01
      2  -0.164424D+01  0.369822D+01
      3   0.242112D+01  0.155640D+01
      4  -0.401603D+01  0.348308D+01
      5   0.430263D+01  0.221025D+01
      6   0.642494D+01  0.119706D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.339578D+00      0.863121D+00      0.287906D+01
   y         -0.287273D+00     -0.730175D+00     -0.243560D+01
   z         -0.613777D+00     -0.156006D+01     -0.520381D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.198599D+03      0.294294D+02      0.327446D+02
   yx        -0.102312D+01     -0.151610D+00     -0.168689D+00
   yy         0.129438D+03      0.191808D+02      0.213415D+02
   zx        -0.560188D+00     -0.830113D-01     -0.923625D-01
   zy        -0.677632D+01     -0.100415D+01     -0.111726D+01
   zz         0.147115D+03      0.218002D+02      0.242560D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168469D+03      0.249645D+02      0.277767D+02
   aniso      0.662488D+02      0.981706D+01      0.109229D+02
   xx         0.210560D+03      0.312018D+02      0.347167D+02
   yx        -0.130396D+01     -0.193228D+00     -0.214995D+00
   yy         0.138074D+03      0.204605D+02      0.227653D+02
   zx        -0.682680D+00     -0.101163D+00     -0.112559D+00
   zy        -0.667911D+01     -0.989743D+00     -0.110124D+01
   zz         0.156771D+03      0.232311D+02      0.258481D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.28760434          2.59832437          0.22003044
     6          2.32589666          1.02981360          2.33546913
     6          0.15220063          2.78471432         -1.29390047
     6         -2.02627646          1.42109783         -0.73256865
     6         -2.00620346         -0.14115640          1.38928449
     6          0.13274060         -0.32507274          2.89328617
     6          4.66390755          0.76991602          3.93661390
     6          6.50351923         -1.34720087          3.10764077
     6          7.58604220         -0.88772567          0.47032298
     6          5.30942210         -3.97021009          3.28812522
     6         -4.34614380          1.67163823         -2.40637590
     6         -4.74517648         -0.76268360         -3.87141974
     8         -4.10025025         -1.10992945         -6.02315397
     8         -5.90052059         -2.57841186         -2.48352844
     1          3.95052802          3.69437260         -0.25093480
     1          0.17690336          4.01254203         -2.93151482
     1         -3.66687951         -1.23369200          1.86527738
     1          0.09818141         -1.54287017          4.53797168
     1          4.10906574          0.41242613          5.89389610
     1          5.69473309          2.55975554          3.92707375
     1          8.07460579         -1.27704677          4.45407549
     1          6.10900048         -0.97633875         -0.96693703
     1          8.99978794         -2.31685426          0.00633977
     1          8.48995435          0.96325697          0.33693319
     1          4.57495100         -4.33742109          5.18202266
     1          6.69901103         -5.43201851          2.85389788
     1          3.74934185         -4.17095621          1.95347297
     1         -3.92223151          3.07486282         -3.85198237
     6         -6.70977565          2.49348876         -0.94683459
     1         -6.00720084         -4.06751156         -3.54672920
     1         -7.20436234          1.13142946          0.51243645
     1         -8.32499589          2.68994272         -2.21354289
     1         -6.36078557          4.31319840         -0.04633557

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.757998D+00      0.192664D+01      0.642657D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.757998D+00      0.192664D+01      0.642657D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158384D+03      0.234701D+02      0.261140D+02
   aniso      0.633642D+02      0.938960D+01      0.104473D+02
   xx         0.186471D+03      0.276322D+02      0.307450D+02
   yx         0.467470D+00      0.692719D-01      0.770754D-01
   yy         0.137178D+03      0.203276D+02      0.226175D+02
   zx         0.233931D+02      0.346650D+01      0.385700D+01
   zy        -0.121619D+02     -0.180221D+01     -0.200522D+01
   zz         0.151504D+03      0.224506D+02      0.249796D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.168469D+03      0.249645D+02      0.277767D+02
   aniso      0.662488D+02      0.981706D+01      0.109229D+02
   xx         0.197804D+03      0.293116D+02      0.326135D+02
   yx         0.522920D+00      0.774888D-01      0.862179D-01
   yy         0.145882D+03      0.216174D+02      0.240526D+02
   zx         0.244700D+02      0.362609D+01      0.403456D+01
   zy        -0.124805D+02     -0.184942D+01     -0.205776D+01
   zz         0.161720D+03      0.239644D+02      0.266640D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-36\Freq\RwB97XD\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.999465,-1
 .196404,0.969136\C,1.596854,-0.854615,-0.242805\C,-0.373383,-1.089601,
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 THE PROBLEM WITH THE LADDER OF SUCCESS IS YOU CAN'T
 CLIMB IT WHILE YOU'RE TWIDDLING YOUR THUMBS.
 Job cpu time:       1 days 13 hours  6 minutes 43.4 seconds.
 Elapsed time:       0 days  4 hours 38 minutes 44.6 seconds.
 File lengths (MBytes):  RWF=    705 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:08:24 2021.
